Geometry & MOs

Info

ID:	71425
PubChem CID:	48414840
Reduced:	ON2C17H22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	318.173213
ΔH_f, kcal/mol:	15.69
Dipole, Da:	4.0
IP(EA), eV:	-8.8(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(4-phenylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(=O)N2CCN(CC2)CCC#C)C

DOS

IR

Vibrations