Geometry & MOs

Info

ID:	268434
PubChem CID:	103599348
Reduced:	NOC10H13 (2)
Stoich.:	ABC10D13 (2)
Weight, g/mol:	427.192963
ΔH_f, kcal/mol:	-57.71
Dipole, Da:	3.23
IP(EA), eV:	-9.11(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[(2R)-4-benzyl-2-methylpiperazin-1-yl]-3-oxoprop-1-enyl]-N,N-dimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC=CC=CC(=O)N(CC(=O)N1CCCCC1)C2=CC=C(C=C2)C

DOS

IR

Vibrations