Geometry & MOs

Info

ID:	23914
PubChem CID:	607080
Reduced:	O2C7H9 (2)
Stoich.:	A2B7C9 (2)
Weight, g/mol:	250.120509
ΔH_f, kcal/mol:	-173.68
Dipole, Da:	4.12
IP(EA), eV:	-8.92(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=C(C2=C(C=C1O)OC(CC2)(C)C)OC

DOS

IR

Vibrations