Geometry & MOs

Info

ID:	143373
PubChem CID:	53198507
Reduced:	O2N3C19H19 (1)
Stoich.:	A2B3C19D19 (1)
Weight, g/mol:	431.119381
ΔH_f, kcal/mol:	-2.33
Dipole, Da:	6.56
IP(EA), eV:	-8.85(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-difluorophenyl)-2-(4-oxo-2-pyridin-4-ylpyrimido[1,2-a]benzimidazol-10-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCC(=O)NC2=NNC(=C2C3=CC=CC=C3)C

DOS

IR

Vibrations