Geometry & MOs

Info

ID:	285255
PubChem CID:	104098827
Reduced:	N5C16H23 (1)
Stoich.:	A5B16C23 (1)
Weight, g/mol:	273.195346
ΔH_f, kcal/mol:	79.19
Dipole, Da:	4.54
IP(EA), eV:	-8.96(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-4-[[2-(triazol-1-yl)ethylamino]methyl]aniline

Drug info:

PubChemData

Smile

C1CN(CCC1NCCN2C=CN=N2)CC3=CC=CC=C3

DOS

IR

Vibrations