Geometry & MOs

Info

ID:	130821
PubChem CID:	51114534
Reduced:	ON3C21H33 (1)
Stoich.:	AB3C21D33 (1)
Weight, g/mol:	446.164221
ΔH_f, kcal/mol:	-50.62
Dipole, Da:	4.74
IP(EA), eV:	-8.13(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-chloro-5-methoxy-4-(3-methylbutoxy)phenyl]-(4-propylsulfonylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2CCN(CC2)CCCCNC(=O)C3CCCC3

DOS

IR

Vibrations