Geometry & MOs

Info

ID:	82174
PubChem CID:	49855722
Reduced:	ClOF2N4H17C20 (1)
Stoich.:	ABC2D4E17F20 (1)
Weight, g/mol:	384.115317
ΔH_f, kcal/mol:	-73.21
Dipole, Da:	3.28
IP(EA), eV:	-9.06(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C2=NC(=C(N2CC(=O)N1)NC3=CC(=C(C=C3)Cl)F)C4=CC=C(C=C4)F)C

DOS

IR

Vibrations