Geometry & MOs

Info

ID:	151007
PubChem CID:	53790704
Reduced:	ClFN2O5C20H24 (1)
Stoich.:	ABC2D5E20F24 (1)
Weight, g/mol:	549.283886
ΔH_f, kcal/mol:	-224.2
Dipole, Da:	2.74
IP(EA), eV:	-9.37(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-O-[2-[[benzyl(methyl)amino]methyl]-2-ethylbutyl] 3-O-methyl 2,6-dimethyl-4-(2-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations