Geometry & MOs

Info

ID:	160127
PubChem CID:	57304819
Reduced:	NPO2S2C14H30 (1)
Stoich.:	ABC2D2E14F30 (1)
Weight, g/mol:	360.160456
ΔH_f, kcal/mol:	-205.85
Dipole, Da:	5.06
IP(EA), eV:	-8.99(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[3-[(2-chlorophenyl)methoxy]phenoxy]propyl]piperazine

Drug info:

PubChemData

Smile

CC1CCC(C(C1)SP(=S)(O)OCCN(C)C)C(C)C

DOS

IR

Vibrations