Geometry & MOs

Info

ID:	208178
PubChem CID:	80502290
Reduced:	FNO3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	243.137162
ΔH_f, kcal/mol:	-171.01
Dipole, Da:	1.22
IP(EA), eV:	-8.87(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyano-N,3-dimethyl-N-(pyridin-3-ylmethyl)cyclobutane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)OCCOC(=O)C1=C(C(=CC=C1)F)N

DOS

IR

Vibrations