Geometry & MOs

Info

ID:	376993
PubChem CID:	134223028
Reduced:	FNOC10H12 (1)
Stoich.:	ABCD10E12 (1)
Weight, g/mol:	177.115364
ΔH_f, kcal/mol:	-74.07
Dipole, Da:	2.61
IP(EA), eV:	-9.49(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations