Geometry & MOs

Info

ID:	68268
PubChem CID:	46508087
Reduced:	N2O5H22C23 (1)
Stoich.:	A2B5C22D23 (1)
Weight, g/mol:	400.185903
ΔH_f, kcal/mol:	-114.96
Dipole, Da:	2.64
IP(EA), eV:	-8.88(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-1-butyl-5-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1C(OC2=CC=CC=C2O1)C(=O)NNC(=O)C(C)OC3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations