Geometry & MOs

Info

ID:	283054
PubChem CID:	103955761
Reduced:	N3O4C17H21 (1)
Stoich.:	A3B4C17D21 (1)
Weight, g/mol:	345.168856
ΔH_f, kcal/mol:	-114.5
Dipole, Da:	3.72
IP(EA), eV:	-9.35(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-ethyl-1-methylpyrazol-4-yl)-2-[ethyl(phenylmethoxycarbonyl)amino]acetic acid

Drug info:

PubChemData

Smile

CCC1=NN(C=C1C(C(=O)O)N(C)C(=O)OCC2=CC=CC=C2)C

DOS

IR

Vibrations