Geometry & MOs

Info

ID:	73629
PubChem CID:	48419544
Reduced:	ClO2N4C17H19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	360.158626
ΔH_f, kcal/mol:	2.51
Dipole, Da:	4.28
IP(EA), eV:	-8.89(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(benzimidazol-1-yl)propyl]-1-methoxyisoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1CCC(=O)NCCCN2C=NC3=CC=CC=C32)Cl

DOS

IR

Vibrations