Geometry & MOs

Info

ID:	71192
PubChem CID:	48414428
Reduced:	ON2C12H13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	373.179027
ΔH_f, kcal/mol:	49.12
Dipole, Da:	8.22
IP(EA), eV:	-8.7(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[2-(4-but-3-ynylpiperazin-1-yl)-2-oxoethyl]acridin-9-one

Drug info:

PubChemData

Smile

CC1=CN2C=C(N=C2C=C1)COC3=CC=C(C=C3)C(=O)N4CCN(CC4)CCC#C

DOS

IR

Vibrations