Geometry & MOs

Info

ID:	216531
PubChem CID:	85086376
Reduced:	O5C15H18 (1)
Stoich.:	A5B15C18 (1)
Weight, g/mol:	278.116761
ΔH_f, kcal/mol:	-182.37
Dipole, Da:	6.21
IP(EA), eV:	-9.75(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1(CC1COCC2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations