Geometry & MOs

Info

ID:	377079
PubChem CID:	134223117
Reduced:	NOC11H15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	191.131014
ΔH_f, kcal/mol:	-37.33
Dipole, Da:	2.64
IP(EA), eV:	-9.28(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4S)-N,N,1-trimethyl-3,4-dihydro-1H-isochromen-4-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations