Geometry & MOs

Info

ID:	381880
PubChem CID:	134972740
Reduced:	NO2F3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	301.128963
ΔH_f, kcal/mol:	-210.43
Dipole, Da:	3.07
IP(EA), eV:	-8.63(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-N-[(1S)-2,2,2-trifluoro-1-[(3S)-2,3,4,7-tetrahydrooxepin-3-yl]ethyl]aniline

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N[C@@H]([C@@H]2CCC=COC2)C(F)(F)F

DOS

IR

Vibrations