Geometry & MOs

Info

ID:	166184
PubChem CID:	74647085
Reduced:	FO2N4H15C17 (1)
Stoich.:	AB2C4D15E17 (1)
Weight, g/mol:	421.21139
ΔH_f, kcal/mol:	-25.74
Dipole, Da:	5.85
IP(EA), eV:	-8.79(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-N-(2-oxobenzimidazol-5-yl)propanamide

Drug info:

PubChemData

Smile

CN(CC1=NC(=O)C2C=CC=CC2=N1)C(=O)NC3=CC=CC=C3F

DOS

IR

Vibrations