Geometry & MOs

Info

ID:	140150
PubChem CID:	52655814
Reduced:	N2O3C17H24 (1)
Stoich.:	A2B3C17D24 (1)
Weight, g/mol:	402.194343
ΔH_f, kcal/mol:	-118.7
Dipole, Da:	5.98
IP(EA), eV:	-9.22(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]-2-naphthalen-1-ylethanone

Drug info:

PubChemData

Smile

C[C@@H](COC)N(C)C(=O)C1=CC=CC(=C1)CN2CCCC2=O

DOS

IR

Vibrations