Geometry & MOs

Info

ID:	250130
PubChem CID:	103094336
Reduced:	ClON3H12C14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	241.09819
ΔH_f, kcal/mol:	17.38
Dipole, Da:	3.32
IP(EA), eV:	-8.74(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(aminomethyl)-N-(3-chloropyridin-2-yl)pentanamide

Drug info:

PubChemData

Smile

C1C(NC2=CC=CC=C21)C(=O)NC3=C(C=CC=N3)Cl

DOS

IR

Vibrations