Geometry & MOs

Info

ID:	373572
PubChem CID:	131317449
Reduced:	ClNSO2C10H10 (1)
Stoich.:	ABCD2E10F10 (1)
Weight, g/mol:	166.085461
ΔH_f, kcal/mol:	-73.8
Dipole, Da:	5.21
IP(EA), eV:	-9.16(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(4-ethyl-1,2,5-oxadiazol-3-yl)propanenitrile

Drug info:

PubChemData

Smile

CC1=C2CSCCC2=NC(=C1C(=O)O)Cl

DOS

IR

Vibrations