Geometry & MOs

Info

ID:	52991
PubChem CID:	14709358
Reduced:	NOH13C17 (1)
Stoich.:	ABC13D17 (1)
Weight, g/mol:	351.162314
ΔH_f, kcal/mol:	67.46
Dipole, Da:	5.54
IP(EA), eV:	-8.53(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[(2R)-4-(3,4-dimethylphenyl)but-3-yn-2-yl]acridin-9-one

Drug info:

PubChemData

Smile

C[C@H](C#C)N1C2=CC=CC=C2C(=O)C3=CC=CC=C31

DOS

IR

Vibrations