Geometry & MOs

Info

ID:	344385
PubChem CID:	127267561
Reduced:	N3O4C17H21 (1)
Stoich.:	A3B4C17D21 (1)
Weight, g/mol:	469.247775
ΔH_f, kcal/mol:	-96.73
Dipole, Da:	4.53
IP(EA), eV:	-8.42(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-9-oxo-10H-acridine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CN=CC(=C1)N2CCN(CC2)CC3=C(C=CO3)C(=O)OC

DOS

IR

Vibrations