Geometry & MOs

Info

ID:	83476
PubChem CID:	49857637
Reduced:	FON2H9C10 (2)
Stoich.:	ABC2D9E10 (2)
Weight, g/mol:	409.171417
ΔH_f, kcal/mol:	-91.22
Dipole, Da:	5.56
IP(EA), eV:	-8.72(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations