Geometry & MOs

Info

ID:	83768
PubChem CID:	49861180
Reduced:	ClN2O2F3C25H30 (1)
Stoich.:	AB2C2D3E25F30 (1)
Weight, g/mol:	394.132717
ΔH_f, kcal/mol:	-219.51
Dipole, Da:	4.16
IP(EA), eV:	-8.81(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-1-methyl-2-phenylbenzimidazole-4-carboxamide;dihydrochloride

Drug info:

PubChemData

Smile

CN(C)CCN1C2=C(C[C@H]([C@H](C1=O)CC=C)C3=CC=C(C=C3)OC)C=C(C=C2)C(F)(F)F.Cl

DOS

IR

Vibrations