Geometry & MOs

Info

ID:

182083

PubChem CID:

76839513

Reduced:

O7N28C43H88 (1)

Stoich.:

A7B28C43D88 (1)

Weight, g/mol:

598.226626

ΔHf, kcal/mol:

-291.43

Dipole, Da:

4.77

IP(EA), eV:

 -8.96(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-methyl-1-[3-(2,2,2-trifluoroethyl)-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid

Drug info:

PubChemData

Smile

CC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)N

DOS

IR

Vibrations