Geometry & MOs

Info

ID:	376940
PubChem CID:	134222973
Reduced:	NOC14H15 (1)
Stoich.:	ABC14D15 (1)
Weight, g/mol:	207.125929
ΔH_f, kcal/mol:	-9.0
Dipole, Da:	1.49
IP(EA), eV:	-8.79(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](C2=C(CO1)C=CC3=CC=CC=C32)N

DOS

IR

Vibrations