Geometry & MOs

Info

ID:	277013
PubChem CID:	103826242
Reduced:	FN2O3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	319.105371
ΔH_f, kcal/mol:	-91.87
Dipole, Da:	8.72
IP(EA), eV:	-9.06(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(difluoromethylsulfonyl)-N-(3-methoxycyclohexyl)aniline

Drug info:

PubChemData

Smile

COC1CCCC(C1)NC2=C(C=C(C=C2)[N+](=O)[O-])F

DOS

IR

Vibrations