Geometry & MOs

Info

ID:	147606
PubChem CID:	53787262
Reduced:	N4O6C29H40 (1)
Stoich.:	A4B6C29D40 (1)
Weight, g/mol:	318.085186
ΔH_f, kcal/mol:	-222.95
Dipole, Da:	1.68
IP(EA), eV:	-8.96(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CCCCN(CCCCN)C(=O)CN1C[C@@H](C([C@@H]1CCN2C=CC=CC2=O)C(=O)O)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations