Geometry & MOs

Info

ID:	83101
PubChem CID:	49857147
Reduced:	BrNO2C16H20 (1)
Stoich.:	ABC2D16E20 (1)
Weight, g/mol:	202.09938
ΔH_f, kcal/mol:	-63.08
Dipole, Da:	1.82
IP(EA), eV:	-8.66(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethenyl-2,2-dimethylchromen-7-ol

Drug info:

PubChemData

Smile

CCCN1CCC2(CC1)C(=CC3=C(O2)C=C(C=C3)O)Br

DOS

IR

Vibrations