Geometry & MOs

Info

ID:	198638
PubChem CID:	79128416
Reduced:	NO2C17H23 (1)
Stoich.:	AB2C17D23 (1)
Weight, g/mol:	300.093249
ΔH_f, kcal/mol:	-63.12
Dipole, Da:	4.18
IP(EA), eV:	-9.62(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-amino-5-methylphenyl)sulfanylacetyl]benzamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)(C#N)C(C2=CC=CC=C2COC)O

DOS

IR

Vibrations