Geometry & MOs

Info

ID:	325610
PubChem CID:	126684162
Reduced:	N3C18H19 (1)
Stoich.:	A3B18C19 (1)
Weight, g/mol:	251.236148
ΔH_f, kcal/mol:	86.47
Dipole, Da:	4.93
IP(EA), eV:	-8.82(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butyl-1-(2-methyloctyl)triazole

Drug info:

PubChemData

Smile

CC(C)CN1C=C(N=N1)C2=CC=C(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations