Geometry & MOs

Info

ID:	250104
PubChem CID:	103094185
Reduced:	ClON3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	289.09819
ΔH_f, kcal/mol:	-9.23
Dipole, Da:	2.85
IP(EA), eV:	-9.15(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-aminophenyl)-N-(3-chloropyridin-2-yl)butanamide

Drug info:

PubChemData

Smile

C1CNCCC12CC2C(=O)NC3=C(C=CC=N3)Cl

DOS

IR

Vibrations