Geometry & MOs

Info

ID:	291957
PubChem CID:	113944411
Reduced:	NOCl2H13C14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	248.163711
ΔH_f, kcal/mol:	-24.43
Dipole, Da:	2.61
IP(EA), eV:	-9.54(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-hydroxy-4-methylazepan-1-yl)pyridine-2-carboximidamide

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)C(CC2=C(C(=CC=C2)Cl)Cl)O

DOS

IR

Vibrations