Geometry & MOs

Info

ID:	176826
PubChem CID:	76102784
Reduced:	ClN3O7H20C22 (1)
Stoich.:	AB3C7D20E22 (1)
Weight, g/mol:	332.140389
ΔH_f, kcal/mol:	-209.74
Dipole, Da:	1.96
IP(EA), eV:	-9.13(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(4-chlorophenyl)methylideneamino]-8-(2-methylpropyl)-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CC(C(=O)NC(CC(=O)O)C(=O)OC)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl

DOS

IR

Vibrations