Geometry & MOs

Info

ID:	124790
PubChem CID:	50896080
Reduced:	ClN2O3C18H23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	257.164046
ΔH_f, kcal/mol:	-126.64
Dipole, Da:	4.98
IP(EA), eV:	-8.25(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-4-[4-(1,2,4-triazol-4-yl)phenyl]piperazine

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=C(C=C(C=C2)N3CC(CC3=O)C(=O)OC)Cl

DOS

IR

Vibrations