Geometry & MOs

Info

ID:	54305
PubChem CID:	16965457
Reduced:	O2N4C25H26 (1)
Stoich.:	A2B4C25D26 (1)
Weight, g/mol:	428.221226
ΔH_f, kcal/mol:	5.18
Dipole, Da:	2.87
IP(EA), eV:	-8.73(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations