Geometry & MOs

Info

ID:	182097
PubChem CID:	76840312
Reduced:	OC24H40 (1)
Stoich.:	AB24C40 (1)
Weight, g/mol:	423.03812
ΔH_f, kcal/mol:	-84.7
Dipole, Da:	2.14
IP(EA), eV:	-9.52(1.1)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

1-(2,5-dimethyl-3H-thiophen-3-id-4-yl)-3-ethyl-4-isocyanopyrazole;iridium

Drug info:

PubChemData

Smile

CCCC1CCC(CC1)C2CCC(CC2)C=CC3CCC(CO3)C=C

DOS

IR

Vibrations