Geometry & MOs

Info

ID:	171533
PubChem CID:	75389846
Reduced:	ClN2O4H15C16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	314.163043
ΔH_f, kcal/mol:	-93.49
Dipole, Da:	4.65
IP(EA), eV:	-9.7(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[3-(3-methylbutoxy)phenyl]-6-oxopyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1COCC(N1C(=O)C2=C(C=NC=C2)Cl)CC(=O)C3=CC=CO3

DOS

IR

Vibrations