Geometry & MOs

Info

ID:	202602
PubChem CID:	79697559
Reduced:	ClFNSC17H19 (1)
Stoich.:	ABCDE17F19 (1)
Weight, g/mol:	292.195092
ΔH_f, kcal/mol:	-23.94
Dipole, Da:	1.63
IP(EA), eV:	-8.71(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(3-fluoro-5-methylphenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCNC(CSC1=CC=CC=C1Cl)C2=CC(=CC(=C2)C)F

DOS

IR

Vibrations