Geometry & MOs

Info

ID:	272256
PubChem CID:	103736985
Reduced:	FN2O2C12H15 (1)
Stoich.:	AB2C2D12E15 (1)
Weight, g/mol:	289.094806
ΔH_f, kcal/mol:	-39.06
Dipole, Da:	9.43
IP(EA), eV:	-8.99(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(difluoromethylsulfonyl)-N-[(1-methylcyclobutyl)methyl]aniline

Drug info:

PubChemData

Smile

CC1(CCC1)CNC2=C(C=C(C=C2)[N+](=O)[O-])F

DOS

IR

Vibrations