Geometry & MOs

Info

ID:	377004
PubChem CID:	134223039
Reduced:	NOC11H15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	177.115364
ΔH_f, kcal/mol:	-36.05
Dipole, Da:	2.2
IP(EA), eV:	-9.26(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1C2=C(C=CC=C2C(CO1)N)C

DOS

IR

Vibrations