Geometry & MOs

Info

ID:	376976
PubChem CID:	134223011
Reduced:	FNOC11H14 (1)
Stoich.:	ABCD11E14 (1)
Weight, g/mol:	191.131014
ΔH_f, kcal/mol:	-80.74
Dipole, Da:	2.05
IP(EA), eV:	-9.51(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations