Geometry & MOs

Info

ID:	71305
PubChem CID:	48414596
Reduced:	FON2C16H19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	286.168128
ΔH_f, kcal/mol:	-18.49
Dipole, Da:	3.33
IP(EA), eV:	-8.95(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(3-methoxy-4-methylphenyl)methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations