Geometry & MOs

Info

ID:	126523
PubChem CID:	50967143
Reduced:	ClO2N5C15H16 (1)
Stoich.:	AB2C5D15E16 (1)
Weight, g/mol:	361.119319
ΔH_f, kcal/mol:	-28.49
Dipole, Da:	8.47
IP(EA), eV:	-9.26(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[4-methoxy-3-(pentanoylamino)phenyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC(=C(C=C1)Cl)C(=O)NCC2=NN=C3N2CCC3

DOS

IR

Vibrations