Geometry & MOs

Info

ID:	373254
PubChem CID:	131312273
Reduced:	SN3C11H11 (1)
Stoich.:	AB3C11D11 (1)
Weight, g/mol:	212.017497
ΔH_f, kcal/mol:	60.0
Dipole, Da:	5.36
IP(EA), eV:	-8.98(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-(3-chloro-5-methylsulfanylphenyl)acetonitrile

Drug info:

PubChemData

Smile

CC(CC1=CC2=C(C=C1)SC(=N2)N)C#N

DOS

IR

Vibrations