Geometry & MOs

Info

ID:	163400
PubChem CID:	57935789
Reduced:	O2N3C31H45 (1)
Stoich.:	A2B3C31D45 (1)
Weight, g/mol:	475.229348
ΔH_f, kcal/mol:	-70.86
Dipole, Da:	4.09
IP(EA), eV:	-7.87(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

naphthalen-1-yl-[4-[4-(3-thiomorpholin-4-ylpropoxy)phenyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C)C)C(=O)N2CCN(CC2)C3=CC=C(C=C3)OCCCN4CCCCCCC4

DOS

IR

Vibrations