Geometry & MOs

Info

ID:	377078
PubChem CID:	134223116
Reduced:	NOC11H15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	177.115364
ΔH_f, kcal/mol:	-35.91
Dipole, Da:	2.52
IP(EA), eV:	-9.26(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations