Geometry & MOs

Info

ID:	374043
PubChem CID:	131322930
Reduced:	SN2O3H8C10 (1)
Stoich.:	AB2C3D8E10 (1)
Weight, g/mol:	180.07212
ΔH_f, kcal/mol:	-1.98
Dipole, Da:	2.61
IP(EA), eV:	-9.14(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-(4-methylthiophen-3-yl)butanenitrile

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC(=C2)C3=NON=C3C(=O)O

DOS

IR

Vibrations