Geometry & MOs

Info

ID:	342056
PubChem CID:	127264769
Reduced:	NSO3C18H25 (1)
Stoich.:	ABC3D18E25 (1)
Weight, g/mol:	326.163043
ΔH_f, kcal/mol:	-125.82
Dipole, Da:	6.13
IP(EA), eV:	-9.22(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenylprop-2-enyl 5-methyl-1-(oxan-4-yl)pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C=CCC(=O)NC2CCS(=O)(=O)CC2

DOS

IR

Vibrations