Geometry & MOs

Info

ID:	29863
PubChem CID:	837830
Reduced:	ClO3H11C17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	223.103085
ΔH_f, kcal/mol:	-64.99
Dipole, Da:	1.3
IP(EA), eV:	-8.88(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-(3-methylsulfanylphenyl)butanamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C(=O)OC2=CC3=C(C=CC(=C3)O)C=C2

DOS

IR

Vibrations