Geometry & MOs

Info

ID:	74862
PubChem CID:	48422608
Reduced:	NO4C13H25 (1)
Stoich.:	AB4C13D25 (1)
Weight, g/mol:	352.145678
ΔH_f, kcal/mol:	-168.03
Dipole, Da:	4.13
IP(EA), eV:	-9.08(0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(cyclopropylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N(CCOC)CCOC)OCC1CC1

DOS

IR

Vibrations