Geometry & MOs

Info

ID:	335791
PubChem CID:	127254653
Reduced:	ClO3N4H15C16 (1)
Stoich.:	AB3C4D15E16 (1)
Weight, g/mol:	423.22704
ΔH_f, kcal/mol:	-41.96
Dipole, Da:	5.0
IP(EA), eV:	-8.89(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CNC(=CC1=O)C(=O)NCCN2C=NC3=C2C=CC(=C3)Cl

DOS

IR

Vibrations