Geometry & MOs

Info

ID:	419432
PubChem CID:	135108178
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	320.151622
ΔH_f, kcal/mol:	-45.13
Dipole, Da:	3.48
IP(EA), eV:	-9.21(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2-methylphenyl)-4-[3-(tetrazol-1-yl)propyl]piperazine

Drug info:

PubChemData

Smile

C1C[C@H](CNC1)NC(=O)C2=C(ON=C2N3CCOCC3)C4=CC=CC=C4

DOS

IR

Vibrations