Geometry & MOs

Info

ID:	285245
PubChem CID:	104098794
Reduced:	BrO2N4C13H17 (1)
Stoich.:	AB2C4D13E17 (1)
Weight, g/mol:	252.137497
ΔH_f, kcal/mol:	13.04
Dipole, Da:	3.22
IP(EA), eV:	-8.65(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(naphthalen-2-ylmethyl)-2-(triazol-1-yl)ethanamine

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)CNCCN2C=CN=N2)Br)OC

DOS

IR

Vibrations