Geometry & MOs

Info

ID:	82945
PubChem CID:	49856860
Reduced:	OF2N5H25C27 (1)
Stoich.:	AB2C5D25E27 (1)
Weight, g/mol:	471.107
ΔH_f, kcal/mol:	-28.85
Dipole, Da:	2.95
IP(EA), eV:	-8.83(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-[3-(4-bromoanilino)-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)[C@H](CC5=CC=CC=C5)N

DOS

IR

Vibrations