Geometry & MOs

Info

ID:	408544
PubChem CID:	135081310
Reduced:	SN2C28H30 (1)
Stoich.:	AB2C28D30 (1)
Weight, g/mol:	435.003581
ΔH_f, kcal/mol:	72.08
Dipole, Da:	2.19
IP(EA), eV:	-8.67(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethylsulfanyl]ethyl]-3,5-dimethylpyrazole;trichlorochromium

Drug info:

PubChemData

Smile

CCC(=NC1=C(C=CC=C1C(C)C)C(C)C)C2=CC=CC(=N2)C3=CC4=CC=CC=C4S3

DOS

IR

Vibrations