Geometry & MOs

Info

ID:	183351
PubChem CID:	77011690
Reduced:	NO4C16H21 (1)
Stoich.:	AB4C16D21 (1)
Weight, g/mol:	275.152144
ΔH_f, kcal/mol:	-161.84
Dipole, Da:	10.3
IP(EA), eV:	-8.83(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(2,2-dimethylbutanoylamino)-2-methylphenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCCOCCC(=O)NC1=CC(=C(C=C1)C)C=CC(=O)O

DOS

IR

Vibrations