Geometry & MOs

Info

ID:	152899
PubChem CID:	56311987
Reduced:	ON2C22H24 (1)
Stoich.:	AB2C22D24 (1)
Weight, g/mol:	355.169605
ΔH_f, kcal/mol:	42.07
Dipole, Da:	2.85
IP(EA), eV:	-8.76(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(4-fluorophenyl)methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]acetate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N(CC2CC2)CC(=O)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations