Geometry & MOs

Info

ID:	377058
PubChem CID:	134223094
Reduced:	NO2C11H15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	191.131014
ΔH_f, kcal/mol:	-65.4
Dipole, Da:	2.3
IP(EA), eV:	-8.96(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3,6,7-trimethyl-3,4-dihydro-1H-isochromen-4-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations