Geometry & MOs

Info

ID:

306306

PubChem CID:

125003690

Reduced:

ClO2N4C30H39 (1)

Stoich.:

AB2C4D30E39 (1)

Weight, g/mol:

522.276154

ΔHf, kcal/mol:

-40.73

Dipole, Da:

2.32

IP(EA), eV:

 -8.74(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-benzyl-2-[(3R)-3-[(4-chloro-3-methylphenoxy)methyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC[C@@]2(CCCN(C2)CC3=C(N(N=C3C)C)C)CC(=O)N(C)CC4=CC=CC=C4)Cl

DOS

IR

Vibrations