Geometry & MOs

Info

ID:	381879
PubChem CID:	134972739
Reduced:	NO2F3C17H22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	301.128963
ΔH_f, kcal/mol:	-193.58
Dipole, Da:	2.23
IP(EA), eV:	-8.44(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-N-[(1S)-2,2,2-trifluoro-1-[(3S)-2,3,4,5-tetrahydrooxepin-3-yl]ethyl]aniline

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N[C@@H]([C@H](CC=C)COCC=C)C(F)(F)F

DOS

IR

Vibrations