Geometry & MOs

Info

ID:	71621
PubChem CID:	48415121
Reduced:	N3O3C15H17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	262.113984
ΔH_f, kcal/mol:	32.22
Dipole, Da:	4.85
IP(EA), eV:	-9.19(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(3-methylthiophen-2-yl)methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations