Geometry & MOs

Info

ID:	129
PubChem CID:	2162
Reduced:	ClN2O5C20H25 (1)
Stoich.:	AB2C5D20E25 (1)
Weight, g/mol:	408.1452
ΔH_f, kcal/mol:	-198.39
Dipole, Da:	3.85
IP(EA), eV:	-8.89(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN

DOS

IR

Vibrations