Geometry & MOs

Info

ID:	245289
PubChem CID:	99443256
Reduced:	ON2C6H8 (3)
Stoich.:	AB2C6D8 (3)
Weight, g/mol:	475.183124
ΔH_f, kcal/mol:	-48.72
Dipole, Da:	4.92
IP(EA), eV:	-9.19(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-methyl-N-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C=NN1C2=NN=C(C=C2)OC)C(=O)NCCC(=O)N3CCCC3

DOS

IR

Vibrations