Geometry & MOs

Info

ID:	381536
PubChem CID:	134972304
Reduced:	BrO2C17H17 (1)
Stoich.:	AB2C17D17 (1)
Weight, g/mol:	333.03644
ΔH_f, kcal/mol:	-47.03
Dipole, Da:	3.61
IP(EA), eV:	-8.66(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-bromo-2,2-dimethyl-3,4-dihydrochromen-6-yl)oxy]pyridine

Drug info:

PubChemData

Smile

CC1(CCC2=C(O1)C=CC(=C2Br)OC3=CC=CC=C3)C

DOS

IR

Vibrations