Geometry & MOs

Info

ID:	26325
PubChem CID:	644355
Reduced:	N3O3H19C21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	315.148396
ΔH_f, kcal/mol:	-30.58
Dipole, Da:	0.44
IP(EA), eV:	-8.79(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-methyl-8-phenyl-1,6,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile

Drug info:

PubChemData

Smile

CN(C)CC(=O)OC1=CC2=C(C=C1)NC(=C2)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations