Geometry & MOs

Info

ID:	54281
PubChem CID:	16957361
Reduced:	INO2C22H34 (1)
Stoich.:	ABC2D22E34 (1)
Weight, g/mol:	333.054753
ΔH_f, kcal/mol:	-93.91
Dipole, Da:	14.14
IP(EA), eV:	-7.61(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-cyanophenyl)methylsulfanyl]-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C[N+](C)(C)CC(COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3)O.[I-]

DOS

IR

Vibrations