Geometry & MOs

Info

ID:	268536
PubChem CID:	103599843
Reduced:	ClN4O5H13C18 (1)
Stoich.:	AB4C5D13E18 (1)
Weight, g/mol:	407.151288
ΔH_f, kcal/mol:	-36.79
Dipole, Da:	9.93
IP(EA), eV:	-9.42(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C=CC2=C(N=C3N2C=CC=C3)Cl

DOS

IR

Vibrations