Geometry & MOs

Info

ID:	43073
PubChem CID:	10318324
Reduced:	ClNO3C22H30 (1)
Stoich.:	ABC3D22E30 (1)
Weight, g/mol:	392.162374
ΔH_f, kcal/mol:	-99.91
Dipole, Da:	4.44
IP(EA), eV:	-8.11(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-methyl-4,6-diphenyl-4H-pyran-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CC#CCOC(=O)CC1=CC=C(CC1(C2CCCC2)O)N3C[C@H]4C[C@H]4C3.Cl

DOS

IR

Vibrations