Geometry & MOs

Info

ID:	135546
PubChem CID:	51890536
Reduced:	ClNOC16H18 (1)
Stoich.:	ABCD16E18 (1)
Weight, g/mol:	273.207922
ΔH_f, kcal/mol:	-17.07
Dipole, Da:	4.19
IP(EA), eV:	-9.26(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[(3-cyanopyridin-2-yl)amino]propyl-cyclohexyl-methylazanium

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CNC[C@@H](C2=CC=C(C=C2)Cl)O

DOS

IR

Vibrations