Geometry & MOs

Info

ID:	164719
PubChem CID:	74443141
Reduced:	O3N4C20H22 (1)
Stoich.:	A3B4C20D22 (1)
Weight, g/mol:	486.236601
ΔH_f, kcal/mol:	-32.28
Dipole, Da:	4.63
IP(EA), eV:	-9.01(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-O-[2-(4-butan-2-ylanilino)-2-oxoethyl] 3-O,5-O-diethyl 2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylate

Drug info:

PubChemData

Smile

C1COCCN1C(=O)C2CC3=C(CN2CC4=CC5=CC=CC=C5O4)NC=N3

DOS

IR

Vibrations