Geometry & MOs

Info

ID:	266536
PubChem CID:	103569797
Reduced:	BrON4C13H15 (1)
Stoich.:	ABC4D13E15 (1)
Weight, g/mol:	239.126991
ΔH_f, kcal/mol:	15.92
Dipole, Da:	3.82
IP(EA), eV:	-8.53(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[acetyl(ethyl)amino]-2-(1-ethylpyrazol-4-yl)acetic acid

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C(C(=O)N)NC2=CC=CC=C2Br

DOS

IR

Vibrations