Geometry & MOs

Info

ID:	219085
PubChem CID:	85090465
Reduced:	SO4N9C25H27 (1)
Stoich.:	AB4C9D25E27 (1)
Weight, g/mol:	549.262757
ΔH_f, kcal/mol:	-27.31
Dipole, Da:	5.16
IP(EA), eV:	-9.32(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]-2-methylphenyl]-5-methyl-9-oxo-4H-acridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(O1)C2CCC(C(C2)NC(=O)C3=NC4=C(S3)CN(CC4)C)NC(=O)C(=O)NC5=NC=C(C=C5)C#N

DOS

IR

Vibrations