Geometry & MOs

Info

ID:	441512
PubChem CID:	135235547
Reduced:	O3N6C22H22 (1)
Stoich.:	A3B6C22D22 (1)
Weight, g/mol:	463.210721
ΔH_f, kcal/mol:	-7.75
Dipole, Da:	6.22
IP(EA), eV:	-8.77(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-1-[(1R,3R,4R,6S,7S)-6-methyl-7-phenylmethoxy-1-(phenylmethoxymethyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC(C)C(NC1=NC2=C(C(=N1)OC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)NC=N2)O

DOS

IR

Vibrations