Geometry & MOs

Info

ID:	129952
PubChem CID:	51074374
Reduced:	O3N4C18H24 (1)
Stoich.:	A3B4C18D24 (1)
Weight, g/mol:	245.083413
ΔH_f, kcal/mol:	-42.24
Dipole, Da:	1.42
IP(EA), eV:	-9.03(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylsulfonyl-N-prop-2-ynylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CN2CCN(CC2)C(=O)NCCOC3=CC=CC=C3

DOS

IR

Vibrations