Geometry & MOs

Info

ID:	83170
PubChem CID:	49857239
Reduced:	N2O3H20C24 (1)
Stoich.:	A2B3C20D24 (1)
Weight, g/mol:	397.171417
ΔH_f, kcal/mol:	-30.66
Dipole, Da:	9.13
IP(EA), eV:	-9.4(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2/C(=C(\C3=CC=C(C=C3)C)/O)/C(=O)C(=O)N2C4=CC=NC=C4

DOS

IR

Vibrations