Geometry & MOs

Info

ID:	431083
PubChem CID:	135171153
Reduced:	O2N4C25H30 (1)
Stoich.:	A2B4C25D30 (1)
Weight, g/mol:	156.045426
ΔH_f, kcal/mol:	-3.18
Dipole, Da:	1.95
IP(EA), eV:	-8.89(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E,5E)-5-(chloromethylidene)-4-ethylidene-2-methyl-1H-imidazole

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC3C=CC=CC3O2)C(=O)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations