Geometry & MOs

Info

ID:	71599
PubChem CID:	48415092
Reduced:	BrON2C15H17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	243.137162
ΔH_f, kcal/mol:	38.27
Dipole, Da:	2.98
IP(EA), eV:	-8.98(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-pyridin-4-ylmethanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations