Geometry & MOs

Info

ID:	377003
PubChem CID:	134223038
Reduced:	NOC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	177.115364
ΔH_f, kcal/mol:	-45.87
Dipole, Da:	1.63
IP(EA), eV:	-9.09(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(CO[C@H](C2N)C(C)C)C=C1

DOS

IR

Vibrations