Geometry & MOs

Info

ID:	71257
PubChem CID:	48414528
Reduced:	ON2C16H24 (1)
Stoich.:	AB2C16D24 (1)
Weight, g/mol:	380.188212
ΔH_f, kcal/mol:	1.92
Dipole, Da:	3.06
IP(EA), eV:	-8.79(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-but-3-ynylpiperazine-1-carbonyl)-N,N-diethyl-1-methylpyrrole-3-sulfonamide

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2CC3CCC2C3

DOS

IR

Vibrations