Geometry & MOs

Info

ID:	83045
PubChem CID:	49857053
Reduced:	F2O2N5H21C22 (1)
Stoich.:	A2B2C5D21E22 (1)
Weight, g/mol:	401.146345
ΔH_f, kcal/mol:	-97.98
Dipole, Da:	3.71
IP(EA), eV:	-8.74(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NCC(=O)N1CCN2C(=NC(=C2NC3=CC=C(C=C3)F)C4=CC=C(C=C4)F)C1

DOS

IR

Vibrations