Geometry & MOs

Info

ID:	285281
PubChem CID:	104098929
Reduced:	N4C17H18 (1)
Stoich.:	A4B17C18 (1)
Weight, g/mol:	216.137497
ΔH_f, kcal/mol:	107.74
Dipole, Da:	4.17
IP(EA), eV:	-9.09(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methylphenyl)methyl]-2-(triazol-1-yl)ethanamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)CNCCN3C=CN=N3

DOS

IR

Vibrations