Geometry & MOs

Info

ID:	139613
PubChem CID:	52570959
Reduced:	N3O4C22H25 (1)
Stoich.:	A3B4C22D25 (1)
Weight, g/mol:	448.178693
ΔH_f, kcal/mol:	-112.07
Dipole, Da:	3.32
IP(EA), eV:	-8.26(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(9-oxoacridin-10-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NCC3=C(C(=CC=C3)OC)OC

DOS

IR

Vibrations