Geometry & MOs

Info

ID:	377050
PubChem CID:	134223086
Reduced:	ClNOC11H14 (1)
Stoich.:	ABCD11E14 (1)
Weight, g/mol:	231.087098
ΔH_f, kcal/mol:	-38.58
Dipole, Da:	4.75
IP(EA), eV:	-9.23(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1[C@H](C2=C(C=CC(=C2CO1)Cl)C)N

DOS

IR

Vibrations