Geometry & MOs

Info

ID:	71386
PubChem CID:	48414752
Reduced:	ON2C21H30 (1)
Stoich.:	AB2C21D30 (1)
Weight, g/mol:	366.174356
ΔH_f, kcal/mol:	2.09
Dipole, Da:	2.63
IP(EA), eV:	-8.85(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-[3-[(4-fluorophenyl)methoxy]phenyl]methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations