Geometry & MOs

Info

ID:	171731
PubChem CID:	75418786
Reduced:	OSN2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	297.136493
ΔH_f, kcal/mol:	6.34
Dipole, Da:	5.78
IP(EA), eV:	-8.8(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[methyl-[2-(3-methylphenyl)acetyl]amino]methyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1SCC(=O)N(C)CC#N

DOS

IR

Vibrations