Geometry & MOs

Info

ID:	447348
PubChem CID:	135282165
Reduced:	ClFON3C18H23 (1)
Stoich.:	ABCD3E18F23 (1)
Weight, g/mol:	263.188529
ΔH_f, kcal/mol:	-59.14
Dipole, Da:	5.09
IP(EA), eV:	-9.12(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[4-methoxy-2-(2-methylpropyl)phenyl]methyl]azetidin-2-yl]methanol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)C2=C(C(=NC=C2)Cl)F)OCC(C)CC(C)(C)N

DOS

IR

Vibrations