Geometry & MOs

Info

ID:	327095
PubChem CID:	126688988
Reduced:	NO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	211.157229
ΔH_f, kcal/mol:	-72.24
Dipole, Da:	1.81
IP(EA), eV:	-8.8(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-di(propan-2-yl)-3,4-dihydro-2H-pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)OC(=O)C2CCC=CN2)C

DOS

IR

Vibrations