Geometry & MOs

Info

ID:	341189
PubChem CID:	127263624
Reduced:	N4C11H20 (1)
Stoich.:	A4B11C20 (1)
Weight, g/mol:	222.184447
ΔH_f, kcal/mol:	20.46
Dipole, Da:	4.41
IP(EA), eV:	-9.14(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations