Geometry & MOs

Info

ID:	197776
PubChem CID:	78995515
Reduced:	SN4C10H18 (1)
Stoich.:	AB4C10D18 (1)
Weight, g/mol:	234.096855
ΔH_f, kcal/mol:	27.73
Dipole, Da:	5.24
IP(EA), eV:	-8.31(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclohex-3-en-1-ylamino)-3,5-difluorobenzonitrile

Drug info:

PubChemData

Smile

CCNC1=CN=CC(=N1)NCCCSC

DOS

IR

Vibrations