Geometry & MOs

Info

ID:	280891
PubChem CID:	103851785
Reduced:	ClNOF2H12C14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	244.157563
ΔH_f, kcal/mol:	-96.08
Dipole, Da:	2.13
IP(EA), eV:	-9.18(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CNCC2=CC(=C(C=C2)F)Cl)F)O

DOS

IR

Vibrations