Geometry & MOs

Info

ID:	149299
PubChem CID:	53788971
Reduced:	NOC6H6 (2)
Stoich.:	ABC6D6 (2)
Weight, g/mol:	372.23006
ΔH_f, kcal/mol:	-18.97
Dipole, Da:	5.4
IP(EA), eV:	-8.58(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (8S,9S,13S,14S)-3-(2-methoxyethoxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-2-carboxylate

Drug info:

PubChemData

Smile

C1CC1NC2=C(NC(=O)O2)C3=CC=CC=C3

DOS

IR

Vibrations