Geometry & MOs

Info

ID:	166404
PubChem CID:	74684305
Reduced:	N2O2C23H23 (1)
Stoich.:	A2B2C23D23 (1)
Weight, g/mol:	301.110766
ΔH_f, kcal/mol:	15.04
Dipole, Da:	2.69
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.772698
Charge, e:	1

Chem-info

IUPAC name:

N-(2-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)acetamide

Drug info:

PubChemData

Smile

C1C[NH2+]C(C2=CC=CC=C21)CC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

DOS

IR

Vibrations