Geometry & MOs

Info

ID:	12051
PubChem CID:	128375
Reduced:	N4O6C21H22 (1)
Stoich.:	A4B6C21D22 (1)
Weight, g/mol:	426.153934
ΔH_f, kcal/mol:	-112.14
Dipole, Da:	8.84
IP(EA), eV:	-9.49(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-O-ethyl 5-O-methyl 2-(imidazol-1-ylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)CN3C=CN=C3

DOS

IR

Vibrations