Geometry & MOs

Info

ID:	231093
PubChem CID:	87572617
Reduced:	O2N4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	360.103145
ΔH_f, kcal/mol:	14.95
Dipole, Da:	4.59
IP(EA), eV:	-8.89(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

COC1=NC=CC2=NNC(=C21)/C=C/C(=O)N3CCCC(C3)C4=CC=CC=C4

DOS

IR

Vibrations