Geometry & MOs

Info

ID:	379460
PubChem CID:	134426573
Reduced:	ON2C15H18 (1)
Stoich.:	AB2C15D18 (1)
Weight, g/mol:	174.071451
ΔH_f, kcal/mol:	-7.22
Dipole, Da:	5.32
IP(EA), eV:	-8.74(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methylthiane-4-carboxylate

Drug info:

PubChemData

Smile

CN=C(CC1=CC=CC=C1)C2=C(CCCC2=O)N

DOS

IR

Vibrations