Geometry & MOs

Info

ID:	337269
PubChem CID:	127256951
Reduced:	ON2C19H26 (1)
Stoich.:	AB2C19D26 (1)
Weight, g/mol:	335.152144
ΔH_f, kcal/mol:	-24.0
Dipole, Da:	2.62
IP(EA), eV:	-8.95(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-3-(4-phenylphenyl)prop-2-enoyl]piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CCN[C@H](C1)[C@@H]2CCCN(C2)C(=O)/C=C/C3=CC=CC=C3

DOS

IR

Vibrations