Geometry & MOs

Info

ID:	189423
PubChem CID:	77853682
Reduced:	NC4H7 (4)
Stoich.:	AB4C7 (4)
Weight, g/mol:	370.298414
ΔH_f, kcal/mol:	24.81
Dipole, Da:	1.95
IP(EA), eV:	-8.11(1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N'-(3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)pentane-1,1-diamine

Drug info:

PubChemData

Smile

CCCN1CC2CCC1CN(C2)CC3=CN(N=C3)CC

DOS

IR

Vibrations