Geometry & MOs

Info

ID:	285246
PubChem CID:	104098797
Reduced:	N4C15H16 (1)
Stoich.:	A4B15C16 (1)
Weight, g/mol:	168.137497
ΔH_f, kcal/mol:	100.42
Dipole, Da:	4.28
IP(EA), eV:	-8.99(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[2-(triazol-1-yl)ethyl]propan-1-amine

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)CNCCN3C=CN=N3

DOS

IR

Vibrations