Geometry & MOs

Info

ID:	177154
PubChem CID:	76141809
Reduced:	ON2C27H32 (1)
Stoich.:	AB2C27D32 (1)
Weight, g/mol:	339.2926
ΔH_f, kcal/mol:	31.9
Dipole, Da:	3.54
IP(EA), eV:	-8.1(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-5-(13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl)pentan-1-amine

Drug info:

PubChemData

Smile

CCN(CC)CCOC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)NC)C3=CC=CC=C3

DOS

IR

Vibrations