Geometry & MOs

Info

ID:	54306
PubChem CID:	16965458
Reduced:	ON2C13H14 (2)
Stoich.:	AB2C13D14 (2)
Weight, g/mol:	468.252526
ΔH_f, kcal/mol:	-3.04
Dipole, Da:	1.57
IP(EA), eV:	-8.56(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OCCCN2C3=CC=CC=C3N=C2C(C)NC(=O)C4=CC=NC=C4)C

DOS

IR

Vibrations