Geometry & MOs

Info

ID:	83764
PubChem CID:	49861112
Reduced:	ClNO2C24H32 (1)
Stoich.:	ABC2D24E32 (1)
Weight, g/mol:	570.19936
ΔH_f, kcal/mol:	-73.83
Dipole, Da:	2.65
IP(EA), eV:	-8.49(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2,6-bis(2-imidazol-1-ylethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride

Drug info:

PubChemData

Smile

COC1CCCN(C1)CCCCOC2=CC=CC=C2/C=C/C3=CC=CC=C3.Cl

DOS

IR

Vibrations