Geometry & MOs

Info

ID:	328662
PubChem CID:	126726366
Reduced:	FO2N3C25H26 (1)
Stoich.:	AB2C3D25E26 (1)
Weight, g/mol:	437.191483
ΔH_f, kcal/mol:	-52.9
Dipole, Da:	5.93
IP(EA), eV:	-8.76(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(2,4-difluorophenyl)-hydroxy-(3-methylpyridin-2-yl)methyl]-3-ethylbenzimidazol-5-yl]propan-1-ol

Drug info:

PubChemData

Smile

CCN1C2=C(C=CC(=C2)CCCO)N=C1C(C3=CC=C(C=C3)C)(C4=C(C=CC=N4)F)O

DOS

IR

Vibrations