Geometry & MOs

Info

ID:	83313
PubChem CID:	49857439
Reduced:	FON5C21H22 (1)
Stoich.:	ABC5D21E22 (1)
Weight, g/mol:	399.126216
ΔH_f, kcal/mol:	-11.67
Dipole, Da:	4.31
IP(EA), eV:	-8.58(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-[3-(4-chloroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations