Geometry & MOs

Info

ID:

190548

PubChem CID:

78019517

Reduced:

N6O7C37H54 (1)

Stoich.:

A6B7C37D54 (1)

Weight, g/mol:

468.371579

ΔHf, kcal/mol:

-322.51

Dipole, Da:

8.9

IP(EA), eV:

 -9.26(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[(5,5-dimethyl-4H-imidazol-3-yl)methyl]-6,6-dimethyl-3-(2-methyloctan-2-yl)-4a,6a,7,10,10a,10b-hexahydrobenzo[c]chromen-1-ol

Drug info:

PubChemData

Smile

CCCC(C(=O)C(=O)NC1CC1)NC(=O)C2CC3CCCC4C3N2C(=O)C(C4(C)C)NC(=O)C(C(C)C)NC(=O)C5=C(C(=C(N5)C)C)C(=O)C

DOS

IR

Vibrations