Geometry & MOs

Info

ID:	260246
PubChem CID:	103186309
Reduced:	F2O2H12C15 (1)
Stoich.:	A2B2C12D15 (1)
Weight, g/mol:	236.127326
ΔH_f, kcal/mol:	-140.79
Dipole, Da:	2.58
IP(EA), eV:	-9.55(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3,5-dimethyl-4-nitropyridin-2-yl)methyl]azetidin-3-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)C2=CC(=CC(=C2)F)C(=O)OC

DOS

IR

Vibrations