Geometry & MOs

Info

ID:	326829
PubChem CID:	126688306
Reduced:	O4N6C23H24 (1)
Stoich.:	A4B6C23D24 (1)
Weight, g/mol:	433.175004
ΔH_f, kcal/mol:	-62.68
Dipole, Da:	5.27
IP(EA), eV:	-8.62(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-N-[1-(4-hydroxybutan-2-yl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide

Drug info:

PubChemData

Smile

CN1C=NC2=C1C=C(C=C2)C(=O)NC3=NC4=C(N3CCCO)C=CC(=C4)N5CCOCC5=O

DOS

IR

Vibrations