Geometry & MOs

Info

ID:	377000
PubChem CID:	134223035
Reduced:	NOC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	205.146664
ΔH_f, kcal/mol:	-42.79
Dipole, Da:	1.85
IP(EA), eV:	-9.27(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-6-methyl-3-propan-2-yl-3,4-dihydro-1H-isochromen-4-amine

Drug info:

PubChemData

Smile

CC(C)C[C@@H]1C(C2=CC=CC=C2CO1)N

DOS

IR

Vibrations