Geometry & MOs

Info

ID:	52990
PubChem CID:	14709356
Reduced:	NOH13C17 (1)
Stoich.:	ABC13D17 (1)
Weight, g/mol:	247.099714
ΔH_f, kcal/mol:	50.67
Dipole, Da:	5.94
IP(EA), eV:	-8.48(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=C=C)N1C2=CC=CC=C2C(=O)C3=CC=CC=C31

DOS

IR

Vibrations