Geometry & MOs

Info

ID:	189031
PubChem CID:	77806413
Reduced:	NO7C13H13 (1)
Stoich.:	AB7C13D13 (1)
Weight, g/mol:	460.01313
ΔH_f, kcal/mol:	-280.22
Dipole, Da:	7.96
IP(EA), eV:	-10.66(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid;hydroiodide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations