Geometry & MOs

Info

ID:	169
PubChem CID:	2225
Reduced:	N2O7C19H20 (1)
Stoich.:	A2B7C19D20 (1)
Weight, g/mol:	388.127051
ΔH_f, kcal/mol:	-187.77
Dipole, Da:	12.41
IP(EA), eV:	-9.34(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-O-methyl 5-O-(2-oxopropyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CC1=C(C(C(=C(N1)C)C(=O)OCC(=O)C)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC

DOS

IR

Vibrations