Geometry & MOs

Info

ID:	420830
PubChem CID:	135114899
Reduced:	ON6C19H22 (1)
Stoich.:	AB6C19D22 (1)
Weight, g/mol:	296.155849
ΔH_f, kcal/mol:	81.49
Dipole, Da:	9.55
IP(EA), eV:	-8.14(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[[5-(2-methylpropyl)thiophen-2-yl]methyl]piperazine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC2=CC=CC=C2N1CCN(C)CC3=NC(=O)C4=CNN(C4=N3)C

DOS

IR

Vibrations