Geometry & MOs

Info

ID:	71411
PubChem CID:	48414811
Reduced:	FN2O3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	270.173213
ΔH_f, kcal/mol:	-48.56
Dipole, Da:	2.47
IP(EA), eV:	-9.15(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(3,4-dimethylphenyl)methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC=C(O2)COC3=CC=C(C=C3)F

DOS

IR

Vibrations