Geometry & MOs

Info

ID:	190113
PubChem CID:	77955741
Reduced:	O4N6C21H30 (1)
Stoich.:	A4B6C21D30 (1)
Weight, g/mol:	312.20893
ΔH_f, kcal/mol:	-126.43
Dipole, Da:	2.72
IP(EA), eV:	-8.88(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-17-(2-hydroxyethylidene)-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-3-ol

Drug info:

PubChemData

Smile

C1COCCN1CCNC(=O)C2C(CC(NC2=O)NC3=CC=C(C=C3)C4CN=CO4)N

DOS

IR

Vibrations