Geometry & MOs

Info

ID:	203336
PubChem CID:	79814715
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	254.13789
ΔH_f, kcal/mol:	-133.67
Dipole, Da:	7.88
IP(EA), eV:	-8.88(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2-amino-2-ethylbutanoyl)amino]pyrazol-1-yl]acetic acid

Drug info:

PubChemData

Smile

CCC(CC)(C(=O)O)NC(=O)N1C(CC2=CC=CC=C21)C

DOS

IR

Vibrations