Geometry & MOs

Info

ID:	376959
PubChem CID:	134222994
Reduced:	NOC11H15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	177.115364
ΔH_f, kcal/mol:	-29.3
Dipole, Da:	3.33
IP(EA), eV:	-9.07(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(COC[C@@H]2NC)C=C1

DOS

IR

Vibrations