Geometry & MOs

Info

ID:	131377
PubChem CID:	51198930
Reduced:	OSN3C16H21 (1)
Stoich.:	ABC3D16E21 (1)
Weight, g/mol:	369.114713
ΔH_f, kcal/mol:	8.62
Dipole, Da:	6.46
IP(EA), eV:	-8.84(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2,3-dimethoxyphenyl)-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CCC(C1)CCC(=O)NC2=CC=NN2CC3=CSC=C3

DOS

IR

Vibrations