Geometry & MOs

Info

ID:	311924
PubChem CID:	126599401
Reduced:	NO2C9H17 (1)
Stoich.:	AB2C9D17 (1)
Weight, g/mol:	256.131074
ΔH_f, kcal/mol:	-102.38
Dipole, Da:	2.12
IP(EA), eV:	-9.38(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E,6E)-7,8-dimethoxy-4-(2-methoxyethylidene)octa-2,6-dienoic acid

Drug info:

PubChemData

Smile

CC=CC(C)(C(C)OC(=O)C)N

DOS

IR

Vibrations