Geometry & MOs

Info

ID:	82173
PubChem CID:	49855721
Reduced:	ClFON5C23H25 (1)
Stoich.:	ABCD5E23F25 (1)
Weight, g/mol:	402.105895
ΔH_f, kcal/mol:	-33.06
Dipole, Da:	5.89
IP(EA), eV:	-8.73(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chloro-3-fluoroanilino)-2-(4-fluorophenyl)-8,8-dimethyl-5,7-dihydroimidazo[1,2-a]pyrazin-6-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC2=C(N=C3N2CCN(C3(C)C)C(=O)CN)C4=CC=C(C=C4)F)Cl

DOS

IR

Vibrations