Geometry & MOs

Info

ID:	274423
PubChem CID:	103809219
Reduced:	OSN2C16H26 (1)
Stoich.:	ABC2D16E26 (1)
Weight, g/mol:	295.171834
ΔH_f, kcal/mol:	-57.6
Dipole, Da:	4.65
IP(EA), eV:	-9.0(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-ethylthiophen-2-yl)methyl]-2-methyl-2-piperazin-1-ylpropanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)CNC(=O)CC(C)C2CCCNC2

DOS

IR

Vibrations