Geometry & MOs

Info

ID:	121822
PubChem CID:	50782727
Reduced:	N2O3C16H24 (1)
Stoich.:	A2B3C16D24 (1)
Weight, g/mol:	346.135114
ΔH_f, kcal/mol:	-139.73
Dipole, Da:	1.29
IP(EA), eV:	-8.25(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[butyl(methyl)amino]-2-[(2-thiophen-2-ylacetyl)amino]benzoic acid

Drug info:

PubChemData

Smile

CCCCN(C)C1=CC(=C(C=C1)NC(=O)C(C)C)C(=O)O

DOS

IR

Vibrations