Geometry & MOs

Info

ID:	163401
PubChem CID:	57935790
Reduced:	SO2N3C28H33 (1)
Stoich.:	AB2C3D28E33 (1)
Weight, g/mol:	493.330442
ΔH_f, kcal/mol:	-12.78
Dipole, Da:	4.13
IP(EA), eV:	-7.91(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxy-3-propan-2-ylphenyl)-[4-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=C(C=C2)OCCCN3CCSCC3)C(=O)C4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations