Geometry & MOs

Info

ID:	291908
PubChem CID:	113735865
Reduced:	BrNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	267.158292
ΔH_f, kcal/mol:	-79.3
Dipole, Da:	4.36
IP(EA), eV:	-9.01(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC1CCN(C1CO)C2=C(C=CC(=C2)Br)CO

DOS

IR

Vibrations