Geometry & MOs

Info

ID:	375976
PubChem CID:	134221975
Reduced:	FNO7C34H38 (1)
Stoich.:	ABC7D34E38 (1)
Weight, g/mol:	329.162708
ΔH_f, kcal/mol:	-310.37
Dipole, Da:	9.64
IP(EA), eV:	-8.56(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-6-[(3-methoxy-4-methylbenzoyl)-methylamino]-4-methyl-3-methylidenehepta-4,6-dienoic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(CCN2C(=O)C3=C(C=CC=C3OC)OC)C(=C1[C@@H](C(=O)O)OC(C)(C)C)C4=CC(=C5C(=C4C)CCCO5)F

DOS

IR

Vibrations