Geometry & MOs

Info

ID:	337949
PubChem CID:	127258572
Reduced:	NO3C29H49 (1)
Stoich.:	AB3C29D49 (1)
Weight, g/mol:	230.134051
ΔH_f, kcal/mol:	-207.03
Dipole, Da:	2.71
IP(EA), eV:	-9.75(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylsulfanylcycloheptyl) butanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCC(CCCOC(=O)CCC)NC(=O)C1=CC=CC=C1

DOS

IR

Vibrations