Geometry & MOs

Info

ID:	225026
PubChem CID:	85735634
Reduced:	S3H30C32 (1)
Stoich.:	A3B30C32 (1)
Weight, g/mol:	220.109944
ΔH_f, kcal/mol:	116.56
Dipole, Da:	3.22
IP(EA), eV:	-8.46(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hex-5-enyl-3-methoxycyclohexa-2,5-diene-1,4-dione

Drug info:

PubChemData

Smile

C=CC1=CC=C(C=C1)CSCC2=CC=C(C=C2)SC3=CC=C(C=C3)CSCC4=CC=C(C=C4)C=C

DOS

IR

Vibrations