Geometry & MOs

Info

ID:	213174
PubChem CID:	81063118
Reduced:	BrNO4C14H18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	241.077265
ΔH_f, kcal/mol:	-164.18
Dipole, Da:	2.37
IP(EA), eV:	-9.17(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(5-methylthiophene-2-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)CCOC1=CC=C(C=C1)Br

DOS

IR

Vibrations