Geometry & MOs

Info

ID:

310813

PubChem CID:

126587682

Reduced:

N2O4C23H30 (1)

Stoich.:

A2B4C23D30 (1)

Weight, g/mol:

528.433116

ΔHf, kcal/mol:

-136.4

Dipole, Da:

2.77

IP(EA), eV:

 -8.13(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3a-[cyclobutylidene(phenylmethoxy)methyl]-5b,8,8,9,11a-pentamethyl-2,3,4,5,5a,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydro-1H-cyclopenta[a]chrysene

Drug info:

PubChemData

Smile

CC1=CC(=CN(C1=O)C)C2=CC(=C(C(=C2)OCC3CCOCC3)NC)CCC=O

DOS

IR

Vibrations