Geometry & MOs

Info

ID:	83173
PubChem CID:	49857242
Reduced:	OF2N5C21H21 (1)
Stoich.:	AB2C5D21E21 (1)
Weight, g/mol:	411.187067
ΔH_f, kcal/mol:	-53.19
Dipole, Da:	3.19
IP(EA), eV:	-8.81(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN2C(=NC(=C2NC3=CC=C(C=C3)F)C4=CC=C(C=C4)F)CN1C(=O)CCN

DOS

IR

Vibrations