Geometry & MOs

Info

ID:	172284
PubChem CID:	75489055
Reduced:	O2N6C23H26 (1)
Stoich.:	A2B6C23D26 (1)
Weight, g/mol:	346.142976
ΔH_f, kcal/mol:	8.03
Dipole, Da:	7.59
IP(EA), eV:	-8.59(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1-oxoisoquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CN1C2=CC=CC=C2N=C1CCCNC(=O)CN3C(=O)C4=CC=CC=C4N=N3

DOS

IR

Vibrations