Geometry & MOs

Info

ID:	81270
PubChem CID:	49854532
Reduced:	N4O4C19H22 (1)
Stoich.:	A4B4C19D22 (1)
Weight, g/mol:	307.14331
ΔH_f, kcal/mol:	-115.36
Dipole, Da:	8.21
IP(EA), eV:	-9.16(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-amino-1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-benzimidazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC(=C21)CO)C(=O)CC3=NC(=O)C=C(N3)N4CCOCC4

DOS

IR

Vibrations