Geometry & MOs

Info

ID:	318081
PubChem CID:	126648902
Reduced:	ClFO2N6H14C19 (1)
Stoich.:	ABC2D6E14F19 (1)
Weight, g/mol:	397.200156
ΔH_f, kcal/mol:	11.65
Dipole, Da:	4.2
IP(EA), eV:	-9.03(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-benzyl-5-N-(3-methoxy-2,2-dimethylcyclobutyl)-3-N-methyl-2-oxo-1H-pyridine-3,5-dicarboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)NC(=O)C2=CC(=C(C=C2)F)COC3=CC(=NC4=NNN=C34)N

DOS

IR

Vibrations