Geometry & MOs

Info

ID:	434079
PubChem CID:	135174236
Reduced:	O2C9F18 (1)
Stoich.:	A2B9C18 (1)
Weight, g/mol:	330.149891
ΔH_f, kcal/mol:	-980.82
Dipole, Da:	0.94
IP(EA), eV:	-11.67(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azetidin-3-yl)-N-[[3-[(4-chloro-2-methylphenyl)methoxy]phenyl]methyl]methanamine

Drug info:

PubChemData

Smile

C(=C(F)F)(C(C(OC(C(C(C(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F

DOS

IR

Vibrations