Geometry & MOs

Info

ID:	147613
PubChem CID:	53787269
Reduced:	O6H10C11 (1)
Stoich.:	A6B10C11 (1)
Weight, g/mol:	369.266779
ΔH_f, kcal/mol:	-226.59
Dipole, Da:	5.88
IP(EA), eV:	-9.64(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-hexyl-5-(hydroxymethyl)-2,6-di(propan-2-yl)-1H-pyridin-4-ylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(C(=C1C(=O)C)C(=O)O)O)O

DOS

IR

Vibrations