Geometry & MOs

Info

ID:	71299
PubChem CID:	48414589
Reduced:	O3N4C15H18 (1)
Stoich.:	A3B4C15D18 (1)
Weight, g/mol:	417.208613
ΔH_f, kcal/mol:	31.58
Dipole, Da:	5.61
IP(EA), eV:	-9.22(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-but-3-ynylpiperazine-1-carbonyl)-N-cyclohexyl-N-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=N1)[N+](=O)[O-])C(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations