Geometry & MOs

Info

ID:	209805
PubChem CID:	80725045
Reduced:	NSO4C15H15 (1)
Stoich.:	ABC4D15E15 (1)
Weight, g/mol:	270.21297
ΔH_f, kcal/mol:	-128.35
Dipole, Da:	7.82
IP(EA), eV:	-8.55(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-butan-2-yl-2-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)C(=O)O)COC2=CC=C(C=C2)NC(=O)C

DOS

IR

Vibrations