Geometry & MOs

Info

ID:	146175
PubChem CID:	53648109
Reduced:	N2O2H22C23 (1)
Stoich.:	A2B2C22D23 (1)
Weight, g/mol:	255.162314
ΔH_f, kcal/mol:	-6.13
Dipole, Da:	4.2
IP(EA), eV:	-8.4(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-1-methyl-1,3,4,5,7,8-hexahydroisoquinolin-6-one

Drug info:

PubChemData

Smile

C1CC2(CC=C1C3=NC(=C(N3)C4=CC=CC=C4)C5=CC=CC=C5)OCCO2

DOS

IR

Vibrations