Geometry & MOs

Info

ID:	213681
PubChem CID:	81064644
Reduced:	BrNO4C14H18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	225.111341
ΔH_f, kcal/mol:	-162.98
Dipole, Da:	3.2
IP(EA), eV:	-9.41(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(1-methylpyrazole-4-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations