Geometry & MOs

Info

ID:	433308
PubChem CID:	135173445
Reduced:	N3O3H23C26 (1)
Stoich.:	A3B3C23D26 (1)
Weight, g/mol:	346.298414
ΔH_f, kcal/mol:	-3.12
Dipole, Da:	9.99
IP(EA), eV:	-8.83(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[2-methyl-4-[2-(4-propan-2-ylphenyl)propan-2-yloxy]butan-2-yl]piperazine

Drug info:

PubChemData

Smile

C1CC(=O)C2=C1C=C(C=C2)C3=CN(N=C3C4=CC=NC=C4)C5=CC=C(C=C5)OCCCO

DOS

IR

Vibrations