Geometry & MOs

Info

ID:	372953
PubChem CID:	131307420
Reduced:	O2C5H6 (2)
Stoich.:	A2B5C6 (2)
Weight, g/mol:	182.055223
ΔH_f, kcal/mol:	-146.91
Dipole, Da:	4.68
IP(EA), eV:	-8.8(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-(1-methyl-5-nitro-1,2,4-triazol-3-yl)acetonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C(=O)OC)OC)O

DOS

IR

Vibrations