Geometry & MOs

Info

ID:	162365
PubChem CID:	57394442
Reduced:	O2F3N3C21H24 (1)
Stoich.:	A2B3C3D21E24 (1)
Weight, g/mol:	348.12224
ΔH_f, kcal/mol:	-184.45
Dipole, Da:	8.05
IP(EA), eV:	-9.02(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-methoxyphenyl)methyl]-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,4-dihydroimidazo[4,5-b]pyrazin-2-one

Drug info:

PubChemData

Smile

C1CN(CC1OC2=CC=C(C=C2)F)CCCCNC(=O)NC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations