Geometry & MOs

Info

ID:	393537
PubChem CID:	135020944
Reduced:	NSO4C16H23 (1)
Stoich.:	ABC4D16E23 (1)
Weight, g/mol:	262.120509
ΔH_f, kcal/mol:	-119.68
Dipole, Da:	6.75
IP(EA), eV:	-9.44(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 4-methylidene-1,3,5,6-tetrahydroazulene-2,2-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC#C)CC(C(C)(C)OC)O

DOS

IR

Vibrations