Geometry & MOs

Info

ID:	427248
PubChem CID:	135156414
Reduced:	NO4C20H27 (1)
Stoich.:	AB4C20D27 (1)
Weight, g/mol:	345.194008
ΔH_f, kcal/mol:	-184.23
Dipole, Da:	7.88
IP(EA), eV:	-9.51(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(Z)-[2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-ylidene]methyl]benzoic acid

Drug info:

PubChemData

Smile

CC1(C/C(=C/C2=CC=C(C=C2)C(=O)O)/CCN1C(=O)OC(C)(C)C)C

DOS

IR

Vibrations