Geometry & MOs

Info

ID:	178395
PubChem CID:	76321986
Reduced:	IO2N3C16H22 (1)
Stoich.:	AB2C3D16E22 (1)
Weight, g/mol:	338.210661
ΔH_f, kcal/mol:	9.13
Dipole, Da:	12.35
IP(EA), eV:	-7.68(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,6E)-2,6-bis[(1-propan-2-ylimidazol-2-yl)methylidene]cyclohexan-1-one

Drug info:

PubChemData

Smile

C[N+](C)(C)CCNC1=C(C(=O)C1=O)NCC2=CC=CC=C2.[I-]

DOS

IR

Vibrations