Geometry & MOs

Info

ID:	197579
PubChem CID:	78978830
Reduced:	SN2O3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	287.126991
ΔH_f, kcal/mol:	-85.0
Dipole, Da:	7.03
IP(EA), eV:	-9.38(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[benzyl(1H-pyrazole-5-carbonyl)amino]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CN(CC1=CC=CC=C1)C(=O)CSCC#N

DOS

IR

Vibrations