Geometry & MOs

Info

ID:	376958
PubChem CID:	134222993
Reduced:	NOC11H15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	177.115364
ΔH_f, kcal/mol:	-31.32
Dipole, Da:	0.72
IP(EA), eV:	-9.11(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(COCC[C@@H]2N)C=C1

DOS

IR

Vibrations