Geometry & MOs

Info

ID:	342342
PubChem CID:	127265160
Reduced:	ON3C19H25 (1)
Stoich.:	AB3C19D25 (1)
Weight, g/mol:	242.153147
ΔH_f, kcal/mol:	29.19
Dipole, Da:	2.85
IP(EA), eV:	-8.7(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,2-dimethyl-3-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-en-1-amine

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C2CCN(CC2)CC=CC3=CC=CC=C3OC

DOS

IR

Vibrations