Geometry & MOs

Info

ID:	341188
PubChem CID:	127263623
Reduced:	N4C11H16 (1)
Stoich.:	A4B11C16 (1)
Weight, g/mol:	208.168797
ΔH_f, kcal/mol:	51.32
Dipole, Da:	6.32
IP(EA), eV:	-9.5(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-tert-butyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)methanamine

Drug info:

PubChemData

Smile

CC(C)(C)N1C2=C(CC(CC2)C#N)N=N1

DOS

IR

Vibrations