Geometry & MOs

Info

ID:	407699
PubChem CID:	135080454
Reduced:	ClN2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	222.125594
ΔH_f, kcal/mol:	36.9
Dipole, Da:	3.91
IP(EA), eV:	-9.21(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-6-ethyl-2,2-dimethyl-3,4-dihydrochromene-3,4-diol

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)N2C=C(C=N2)Cl)C

DOS

IR

Vibrations