Geometry & MOs

Info

ID:	181594
PubChem CID:	76764253
Reduced:	ClNO2C10H12 (1)
Stoich.:	ABC2D10E12 (1)
Weight, g/mol:	178.09938
ΔH_f, kcal/mol:	-48.0
Dipole, Da:	5.4
IP(EA), eV:	-8.64(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3S)-1,3-dimethyl-3,4-dihydro-1H-isochromen-8-ol

Drug info:

PubChemData

Smile

CN(C)C1=C(C(=O)[C@H](C1=O)CC=C)Cl

DOS

IR

Vibrations