Geometry & MOs

Info

ID:	376966
PubChem CID:	134223001
Reduced:	NO2C11H15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	177.115364
ΔH_f, kcal/mol:	-59.79
Dipole, Da:	2.01
IP(EA), eV:	-8.73(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-5,6-dimethyl-3,4-dihydro-1H-isochromen-4-amine

Drug info:

PubChemData

Smile

CN[C@@H]1COCC2=C1C=C(C=C2)OC

DOS

IR

Vibrations