Geometry & MOs

Info

ID:	326816
PubChem CID:	126688272
Reduced:	F2N4O4C23H24 (1)
Stoich.:	A2B4C4D23E24 (1)
Weight, g/mol:	463.146739
ΔH_f, kcal/mol:	-199.15
Dipole, Da:	4.86
IP(EA), eV:	-8.68(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(CCO)N1C2=C(C=C(C=C2)N3CCOCC3=O)N=C1NC(=O)C4=CC=CC(=C4)C(F)F

DOS

IR

Vibrations