Geometry & MOs

Info

ID:	373231
PubChem CID:	131311988
Reduced:	SN2C9H16 (1)
Stoich.:	AB2C9D16 (1)
Weight, g/mol:	184.10342
ΔH_f, kcal/mol:	9.55
Dipole, Da:	5.37
IP(EA), eV:	-8.48(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-4-(thian-4-yl)butanenitrile

Drug info:

PubChemData

Smile

CCC(C#N)(C1CCCSC1)N

DOS

IR

Vibrations