Geometry & MOs

Info

ID:	28629
PubChem CID:	828690
Reduced:	OCl2N4H12C15 (1)
Stoich.:	AB2C4D12E15 (1)
Weight, g/mol:	308.209993
ΔH_f, kcal/mol:	59.88
Dipole, Da:	3.03
IP(EA), eV:	-9.25(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-propan-2-yl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine

Drug info:

PubChemData

Smile

C1[C@H](NC2=NC=NN2[C@@H]1C3=CC=CO3)C4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations