Geometry & MOs

Info

ID:	342099
PubChem CID:	127264812
Reduced:	NO3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	288.147393
ΔH_f, kcal/mol:	-96.06
Dipole, Da:	7.1
IP(EA), eV:	-9.66(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-(3-pyridin-4-ylprop-2-enoylamino)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(=CC(=O)NCC(CC1=CC=CC=C1)C(=O)O)C2CC2

DOS

IR

Vibrations