Geometry & MOs

Info

ID:	283053
PubChem CID:	103955760
Reduced:	N3O4C23H23 (1)
Stoich.:	A3B4C23D23 (1)
Weight, g/mol:	331.153206
ΔH_f, kcal/mol:	-91.17
Dipole, Da:	6.81
IP(EA), eV:	-9.03(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN(C=C1C(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C

DOS

IR

Vibrations