Geometry & MOs

Info

ID:	256265
PubChem CID:	103138059
Reduced:	N4C13H16 (1)
Stoich.:	A4B13C16 (1)
Weight, g/mol:	273.04767
ΔH_f, kcal/mol:	56.28
Dipole, Da:	4.53
IP(EA), eV:	-8.15(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-bromoethyl)-1-[(5-methyloxolan-2-yl)methyl]triazole

Drug info:

PubChemData

Smile

C1CN(CCN1)C2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations