Geometry & MOs

Info

ID:	293856
PubChem CID:	117406744
Reduced:	NSO4H7C12 (1)
Stoich.:	ABC4D7E12 (1)
Weight, g/mol:	261.114062
ΔH_f, kcal/mol:	-44.61
Dipole, Da:	1.08
IP(EA), eV:	-8.82(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(difluoromethyl)-2,3-difluorophenyl]cyclohexan-1-amine

Drug info:

PubChemData

Smile

C\1=CC2=C(C=CS2)C(=O)/C1=C\3/C=C(ON3)C(=O)O

DOS

IR

Vibrations