Geometry & MOs

Info

ID:	256189
PubChem CID:	103137626
Reduced:	ClFN3H11C15 (1)
Stoich.:	ABC3D11E15 (1)
Weight, g/mol:	185.141579
ΔH_f, kcal/mol:	22.88
Dipole, Da:	5.82
IP(EA), eV:	-8.56(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-[(5-methyloxolan-2-yl)methyl]azetidin-3-ol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)F)NC2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations