Geometry & MOs

Info

ID:	9467
PubChem CID:	89767
Reduced:	N2O8C25H34 (1)
Stoich.:	A2B8C25D34 (1)
Weight, g/mol:	490.231516
ΔH_f, kcal/mol:	-261.48
Dipole, Da:	8.95
IP(EA), eV:	-9.36(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(2-propoxyethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CCCOCCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOCCC)C)C

DOS

IR

Vibrations