Geometry & MOs

Info

ID:	377064
PubChem CID:	134223100
Reduced:	NO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	191.131014
ΔH_f, kcal/mol:	-75.72
Dipole, Da:	2.43
IP(EA), eV:	-8.72(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-3-ethyl-5-methyl-3,4-dihydro-1H-isochromen-4-amine

Drug info:

PubChemData

Smile

C[C@H]1[C@H](C2=C(CO1)C=CC3=C2CCCO3)N

DOS

IR

Vibrations