Geometry & MOs

Info

ID:	201496
PubChem CID:	79546408
Reduced:	BrFNOC14H17 (1)
Stoich.:	ABCDE14F17 (1)
Weight, g/mol:	269.189198
ΔH_f, kcal/mol:	-75.34
Dipole, Da:	3.15
IP(EA), eV:	-9.26(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-pyrrolidin-2-ylcyclohexyl)amino]benzonitrile

Drug info:

PubChemData

Smile

CC(=O)CC1CCCN1CC2=CC(=C(C=C2)F)Br

DOS

IR

Vibrations