Geometry & MOs

Info

ID:	375448
PubChem CID:	131529761
Reduced:	BrFNOH9C10 (1)
Stoich.:	ABCDE9F10 (1)
Weight, g/mol:	217.121512
ΔH_f, kcal/mol:	-49.24
Dipole, Da:	1.92
IP(EA), eV:	-9.46(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-methylpyrazole-4-carbonyl)cyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1O)CCCC#N)Br)F

DOS

IR

Vibrations