Geometry & MOs

Info

ID:	147902
PubChem CID:	53787561
Reduced:	N2O3C27H38 (1)
Stoich.:	A2B3C27D38 (1)
Weight, g/mol:	452.171414
ΔH_f, kcal/mol:	-95.1
Dipole, Da:	4.17
IP(EA), eV:	-8.45(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethoxy-2-oxoethyl) 6-[2-(2-aminoethoxy)ethoxymethyl]-4-(2-chlorophenyl)-2-methyl-3,4-dihydropyridine-5-carboxylate

Drug info:

PubChemData

Smile

CCCCCC(=CC=CC(=O)N[C@H](C)CCCC1=CNC=C1)C2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations