Geometry & MOs

Info

ID:	376983
PubChem CID:	134223018
Reduced:	NO2C11H15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	177.115364
ΔH_f, kcal/mol:	-69.76
Dipole, Da:	4.07
IP(EA), eV:	-8.88(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](C2=C(CO1)C=CC(=C2)OC)N

DOS

IR

Vibrations