Geometry & MOs

Info

ID:	121375
PubChem CID:	50765581
Reduced:	ON5C29H29 (1)
Stoich.:	AB5C29D29 (1)
Weight, g/mol:	335.199762
ΔH_f, kcal/mol:	71.32
Dipole, Da:	6.0
IP(EA), eV:	-8.84(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]butanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NC3=CC=C(C=C3)CCC4=NC5=CC=CC=C5N4CC

DOS

IR

Vibrations