Geometry & MOs

Info

ID:	203205
PubChem CID:	79792422
Reduced:	N3O3C13H19 (1)
Stoich.:	A3B3C13D19 (1)
Weight, g/mol:	241.077265
ΔH_f, kcal/mol:	-115.73
Dipole, Da:	10.26
IP(EA), eV:	-9.0(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-[(5-methylthiophene-2-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CCC(C)(C(=O)O)NC(=O)C1=CN=C(C=C1)N(C)C

DOS

IR

Vibrations