Geometry & MOs

Info

ID:	377077
PubChem CID:	134223115
Reduced:	NOC11H15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	177.115364
ΔH_f, kcal/mol:	-36.93
Dipole, Da:	3.39
IP(EA), eV:	-9.14(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations