Geometry & MOs

Info

ID:	196203
PubChem CID:	78797450
Reduced:	SO2N4C23H28 (1)
Stoich.:	AB2C4D23E28 (1)
Weight, g/mol:	290.126657
ΔH_f, kcal/mol:	-4.84
Dipole, Da:	3.12
IP(EA), eV:	-8.48(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylpyrazol-4-yl)methyl 3-(4-methoxyphenoxy)propanoate

Drug info:

PubChemData

Smile

CC1CCCC(N1C(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CC=C4C)C

DOS

IR

Vibrations