Geometry & MOs

Info

ID:	167766
PubChem CID:	74871795
Reduced:	SN3O4H9C10 (1)
Stoich.:	AB3C4D9E10 (1)
Weight, g/mol:	287.152144
ΔH_f, kcal/mol:	-98.47
Dipole, Da:	2.92
IP(EA), eV:	-9.59(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC2=NC=NC(=O)C12)C(=O)NCC(=O)O

DOS

IR

Vibrations