Geometry & MOs

Info

ID:	377047
PubChem CID:	134223083
Reduced:	FNOC10H12 (1)
Stoich.:	ABCD10E12 (1)
Weight, g/mol:	191.131014
ΔH_f, kcal/mol:	-76.18
Dipole, Da:	3.2
IP(EA), eV:	-9.46(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-6-ethyl-3-methyl-3,4-dihydro-1H-isochromen-4-amine

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](C2=C(CO1)C=CC=C2F)N

DOS

IR

Vibrations