Geometry & MOs

Info

ID:	377009
PubChem CID:	134223044
Reduced:	FNOC10H12 (1)
Stoich.:	ABCD10E12 (1)
Weight, g/mol:	199.08087
ΔH_f, kcal/mol:	-69.03
Dipole, Da:	1.91
IP(EA), eV:	-9.45(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(difluoromethyl)-3,4-dihydro-1H-isochromen-4-amine

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2C([C@@H](O1)CF)N

DOS

IR

Vibrations