Geometry & MOs

Info

ID:	149261
PubChem CID:	53788933
Reduced:	NC11H16 (2)
Stoich.:	AB11C16 (2)
Weight, g/mol:	326.079038
ΔH_f, kcal/mol:	11.85
Dipole, Da:	2.55
IP(EA), eV:	-9.07(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetyl-6-(3-acetyl-4-carboxyphenyl)benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(CCCCCCCN)(CC2=CC=CC=C2)N

DOS

IR

Vibrations