Geometry & MOs

Info

ID:	55376
PubChem CID:	17395309
Reduced:	SN3O5C16H21 (1)
Stoich.:	AB3C5D16E21 (1)
Weight, g/mol:	353.173942
ΔH_f, kcal/mol:	-150.76
Dipole, Da:	6.14
IP(EA), eV:	-9.22(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzoyl-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C=CCNC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations