Geometry & MOs

Info

ID:	23984
PubChem CID:	607324
Reduced:	ClN2O6H13C15 (1)
Stoich.:	AB2C6D13E15 (1)
Weight, g/mol:	352.046214
ΔH_f, kcal/mol:	-133.64
Dipole, Da:	5.75
IP(EA), eV:	-9.46(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 4-(4-chloro-3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CNC=C(C1C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OC

DOS

IR

Vibrations