Geometry & MOs

Info

ID:	83549
PubChem CID:	49857821
Reduced:	N3O4C27H27 (1)
Stoich.:	A3B4C27D27 (1)
Weight, g/mol:	447.168223
ΔH_f, kcal/mol:	-64.42
Dipole, Da:	5.94
IP(EA), eV:	-9.15(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2C(/C(=C(\C3=CC=C(C=C3)OC)/O)/C(=O)C2=O)C4=CC=C(C=C4)C(C)(C)C

DOS

IR

Vibrations