Geometry & MOs

Info

ID:	222313
PubChem CID:	85296656
Reduced:	NO2C23H29 (1)
Stoich.:	AB2C23D29 (1)
Weight, g/mol:	351.01062
ΔH_f, kcal/mol:	-43.34
Dipole, Da:	2.79
IP(EA), eV:	-9.0(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2,2-dimethyl-6-nitro-3,4-dihydrobenzo[h]chromen-4-ol

Drug info:

PubChemData

Smile

C1CC(C(=CC(COCC2=CC=CC=C2)NCC3=CC=CC=C3)C1)CO

DOS

IR

Vibrations