Geometry & MOs

Info

ID:	327228
PubChem CID:	126689292
Reduced:	F2O3N4C25H28 (1)
Stoich.:	A2B3C4D25E28 (1)
Weight, g/mol:	471.151824
ΔH_f, kcal/mol:	-174.24
Dipole, Da:	6.3
IP(EA), eV:	-9.01(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-hydroxypropyl)-5-(1-methyl-6-oxopyrimidin-5-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC1([C@H](CN(C1=O)C)C2=CC3=C(C=C2)N(C(=N3)NC(=O)C4=CC=CC(=C4)C(F)F)CCCO)C

DOS

IR

Vibrations