Geometry & MOs

Info

ID:	328671
PubChem CID:	126726473
Reduced:	N3O3C29H31 (1)
Stoich.:	A3B3C29D31 (1)
Weight, g/mol:	439.150761
ΔH_f, kcal/mol:	-57.61
Dipole, Da:	1.86
IP(EA), eV:	-9.22(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[bis(2-fluorophenyl)-hydroxymethyl]-N-(2-fluoroethyl)-3-methylbenzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=CC(=C2)C(=O)N[C@@H]3CCC[C@@H](C3)O)N=C1C(C4=CC=CC=C4)(C5=CC=CC=C5)O

DOS

IR

Vibrations