Geometry & MOs

Info

ID:	250106
PubChem CID:	103094199
Reduced:	ClO2N3C14H14 (1)
Stoich.:	AB2C3D14E14 (1)
Weight, g/mol:	227.08254
ΔH_f, kcal/mol:	-37.0
Dipole, Da:	2.69
IP(EA), eV:	-9.15(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations