Geometry & MOs

Info

ID:	22565
PubChem CID:	597743
Reduced:	SN2C8H12 (1)
Stoich.:	AB2C8D12 (1)
Weight, g/mol:	168.07212
ΔH_f, kcal/mol:	31.45
Dipole, Da:	5.85
IP(EA), eV:	-9.47(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,5-trimethyl-2-sulfanyl-3H-pyrrole-5-carbonitrile

Drug info:

PubChemData

Smile

CC1(CC(=NC1(C)C#N)S)C

DOS

IR

Vibrations