Geometry & MOs

Info

ID:	71487
PubChem CID:	48414946
Reduced:	ON3C19H23 (1)
Stoich.:	AB3C19D23 (1)
Weight, g/mol:	377.177313
ΔH_f, kcal/mol:	32.82
Dipole, Da:	5.57
IP(EA), eV:	-8.45(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-but-3-ynylpiperazin-1-yl)-3-oxopropyl]-3,4-dimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C=C(C=C2)C(=O)N3CCN(CC3)CCC#C)C

DOS

IR

Vibrations