Geometry & MOs

Info

ID:	9417
PubChem CID:	89419
Reduced:	ClN3C12H18 (1)
Stoich.:	AB3C12D18 (1)
Weight, g/mol:	239.118925
ΔH_f, kcal/mol:	11.88
Dipole, Da:	2.88
IP(EA), eV:	-8.91(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-phenylpropyl)-1,2,5,6-tetrahydro-1,2,4-triazine;hydrochloride

Drug info:

PubChemData

Smile

CC(CC1=NCCNN1)C2=CC=CC=C2.Cl

DOS

IR

Vibrations