Geometry & MOs

Info

ID:	427252
PubChem CID:	135156423
Reduced:	ON3C21H27 (1)
Stoich.:	AB3C21D27 (1)
Weight, g/mol:	317.162708
ΔH_f, kcal/mol:	-18.67
Dipole, Da:	4.42
IP(EA), eV:	-8.24(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CCN(CC1)CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N)C

DOS

IR

Vibrations