Geometry & MOs

Info

ID:	71535
PubChem CID:	48415011
Reduced:	NOC10H13 (2)
Stoich.:	ABC10D13 (2)
Weight, g/mol:	278.123069
ΔH_f, kcal/mol:	-23.93
Dipole, Da:	2.53
IP(EA), eV:	-8.86(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations