Geometry & MOs

Info

ID:	404122
PubChem CID:	135065089
Reduced:	SN2O3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	391.135218
ΔH_f, kcal/mol:	-70.78
Dipole, Da:	4.07
IP(EA), eV:	-9.29(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-methoxyphenyl)-4-(4-nitrophenyl)pyrazol-3-yl]ethynyl-trimethylsilane

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C=NN1C(C)(C)C)C(=O)C2=CC=CS2

DOS

IR

Vibrations