Geometry & MOs

Info

ID:	26401
PubChem CID:	646623
Reduced:	ClO3N4H19C20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	376.214223
ΔH_f, kcal/mol:	-27.52
Dipole, Da:	5.65
IP(EA), eV:	-9.03(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-4-(3-chlorophenyl)piperazine

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(OC(=C(C1C2=C(N(N=C2C)C3=CC=CC=C3)Cl)C#N)N)C

DOS

IR

Vibrations