Geometry & MOs

Info

ID:	208510
PubChem CID:	80539147
Reduced:	N2O4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	241.077265
ΔH_f, kcal/mol:	-170.43
Dipole, Da:	6.86
IP(EA), eV:	-9.02(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[(4-methylthiophene-3-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC(CCNC(=O)CCN1C=CC=CC1=O)C(=O)O

DOS

IR

Vibrations