Geometry & MOs

Info

ID:	376952
PubChem CID:	134222986
Reduced:	NOC11H15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	177.115364
ΔH_f, kcal/mol:	-39.15
Dipole, Da:	3.47
IP(EA), eV:	-9.15(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-6,8-dimethyl-3,4-dihydro-1H-isochromen-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=C2COC[C@@H](C2=C1)N)C

DOS

IR

Vibrations