Geometry & MOs

Info

ID:	156328
PubChem CID:	56370097
Reduced:	N3O4C23H29 (1)
Stoich.:	A3B4C23D29 (1)
Weight, g/mol:	409.236542
ΔH_f, kcal/mol:	-135.87
Dipole, Da:	4.81
IP(EA), eV:	-8.83(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,5-dimethylphenoxy)ethyl]-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C(=O)NCC3=CC(=CC(=C3)OC)OC

DOS

IR

Vibrations