Geometry & MOs

Info

ID:	298854
PubChem CID:	117661760
Reduced:	O2N3C24H25 (1)
Stoich.:	A2B3C24D25 (1)
Weight, g/mol:	412.370516
ΔH_f, kcal/mol:	-4.99
Dipole, Da:	8.08
IP(EA), eV:	-9.24(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-[(E,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2=CC=C(C=C2)COC3=C(C(=O)N(C=C3)CCC(C)C)C#N

DOS

IR

Vibrations