Geometry & MOs

Info

ID:	160307
PubChem CID:	57309654
Reduced:	BrNO4H20C21 (1)
Stoich.:	ABC4D20E21 (1)
Weight, g/mol:	397.261694
ΔH_f, kcal/mol:	-116.96
Dipole, Da:	2.85
IP(EA), eV:	-9.64(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R,9R,10S,13S,14S)-10,13-dimethyl-17-(4-nitrophenoxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene

Drug info:

PubChemData

Smile

COC(=O)C1(CN(CCC1=O)C(=O)C2=CC=CC=C2)CC3=CC=CC=C3Br

DOS

IR

Vibrations