Geometry & MOs

Info

ID:	167743
PubChem CID:	74868212
Reduced:	NSO3C15H19 (1)
Stoich.:	ABC3D15E19 (1)
Weight, g/mol:	287.152144
ΔH_f, kcal/mol:	-109.16
Dipole, Da:	4.73
IP(EA), eV:	-9.07(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C=CC(=O)NC(CCSC)C(=O)O

DOS

IR

Vibrations