Geometry & MOs

Info

ID:	377095
PubChem CID:	134223133
Reduced:	NOC11H15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	177.115364
ΔH_f, kcal/mol:	-36.69
Dipole, Da:	3.07
IP(EA), eV:	-9.18(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations