Geometry & MOs

Info

ID:	146203
PubChem CID:	53650089
Reduced:	ClON3C14H20 (1)
Stoich.:	ABC3D14E20 (1)
Weight, g/mol:	225.100108
ΔH_f, kcal/mol:	-32.36
Dipole, Da:	2.98
IP(EA), eV:	-9.23(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxycarbonyl-2,4,6-trimethyl-3,4-dihydropyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)Cl)C(C)C(=O)CCCN=C(N)N

DOS

IR

Vibrations