Geometry & MOs

Info

ID:	189913
PubChem CID:	77922576
Reduced:	N2O7C31H44 (1)
Stoich.:	A2B7C31D44 (1)
Weight, g/mol:	465.181232
ΔH_f, kcal/mol:	-304.71
Dipole, Da:	5.11
IP(EA), eV:	-8.84(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-fluorophenyl)-3-methyl-N-[2-methyl-5-(3-methyl-2,4-dioxo-1,3-diazinan-1-yl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)CC2C(N(CN2C(=O)OC(C)(C)C)CC(=O)OCC3=CC=CC=C3)CC(CO)O

DOS

IR

Vibrations