Geometry & MOs

Info

ID:	82177
PubChem CID:	49855725
Reduced:	ClFN4H18C19 (1)
Stoich.:	ABC4D18E19 (1)
Weight, g/mol:	418.141674
ΔH_f, kcal/mol:	21.66
Dipole, Da:	8.12
IP(EA), eV:	-8.65(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC2=C(N=C3N2CCNC3)C4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations