Geometry & MOs

Info

ID:	168276
PubChem CID:	74943980
Reduced:	O2C9H14 (1)
Stoich.:	A2B9C14 (1)
Weight, g/mol:	414.303499
ΔH_f, kcal/mol:	-57.79
Dipole, Da:	3.62
IP(EA), eV:	-9.76(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-isoquinolin-7-yl-N,N,13-trimethyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15-tetradecahydrocyclopenta[a]phenanthren-3-amine

Drug info:

PubChemData

Smile

CC(=CCO)CCC(C#C)O

DOS

IR

Vibrations