Geometry & MOs

Info

ID:	373924
PubChem CID:	131321343
Reduced:	BrClOSH10C11 (1)
Stoich.:	ABCDE10F11 (1)
Weight, g/mol:	165.101445
ΔH_f, kcal/mol:	-16.63
Dipole, Da:	1.63
IP(EA), eV:	-8.75(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(2,5-dimethyltriazol-4-yl)propanenitrile

Drug info:

PubChemData

Smile

CCOC1=C(SC2=C1C(=CC=C2)Cl)CBr

DOS

IR

Vibrations