Geometry & MOs

Info

ID:	269553
PubChem CID:	103617935
Reduced:	SN2O3H12C14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	244.121178
ΔH_f, kcal/mol:	-29.17
Dipole, Da:	3.72
IP(EA), eV:	-9.24(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-methyl-3-pyrazol-1-ylpropanoate

Drug info:

PubChemData

Smile

CC(C1=CC=C(O1)C(=O)OC)SC2=NC=CC(=C2)C#N

DOS

IR

Vibrations