Geometry & MOs

Info

ID:	71389
PubChem CID:	48414768
Reduced:	N3O3C19H27 (1)
Stoich.:	A3B3C19D27 (1)
Weight, g/mol:	278.123069
ΔH_f, kcal/mol:	-92.26
Dipole, Da:	5.53
IP(EA), eV:	-8.86(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(2,5-difluorophenyl)methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CCN2C(=O)C3CCCCC3C2=O

DOS

IR

Vibrations