Geometry & MOs

Info

ID:	81175
PubChem CID:	49854432
Reduced:	O3N4H24C26 (1)
Stoich.:	A3B4C24D26 (1)
Weight, g/mol:	306.148061
ΔH_f, kcal/mol:	-43.23
Dipole, Da:	7.25
IP(EA), eV:	-9.17(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methyl-2,4-dihydro-1H-isoquinolin-3-yl)-1H-benzimidazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1(CC2=CC=CC=C2CN1C(=O)OCC3=CC=CC=C3)C4=NC5=C(C=CC=C5N4)C(=O)N

DOS

IR

Vibrations