Geometry & MOs

Info

ID:	449582
PubChem CID:	135299839
Reduced:	BrNC16H18 (1)
Stoich.:	ABC16D18 (1)
Weight, g/mol:	546.241962
ΔH_f, kcal/mol:	33.16
Dipole, Da:	2.62
IP(EA), eV:	-8.34(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,9-dimethyl-10-pyridin-2-yl-3-[(9-pyridin-2-yl-4a,9a-dihydrocarbazol-2-yl)oxy]acridine

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=C(C=C1)Br)NC2=CC=CC=C2

DOS

IR

Vibrations