Geometry & MOs

Info

ID:	324397
PubChem CID:	126677575
Reduced:	IN3C7H12 (1)
Stoich.:	AB3C7D12 (1)
Weight, g/mol:	167.142248
ΔH_f, kcal/mol:	50.5
Dipole, Da:	5.11
IP(EA), eV:	-9.62(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylpropyl)-4-propyltriazole

Drug info:

PubChemData

Smile

CCCCN1C=C(N=N1)CI

DOS

IR

Vibrations