Geometry & MOs

Info

ID:	216688
PubChem CID:	85086613
Reduced:	NOH8C9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	292.132411
ΔH_f, kcal/mol:	15.92
Dipole, Da:	4.5
IP(EA), eV:	-9.36(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,6-dihydrobenzimidazol-2-ylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CN1C(=O)C2CC1(C3=CC=CC=C3C2=NO)C4=CC=CC=C4

DOS

IR

Vibrations