Geometry & MOs

Info

ID:	169542
PubChem CID:	75118227
Reduced:	O2N5C23H23 (1)
Stoich.:	A2B5C23D23 (1)
Weight, g/mol:	504.200885
ΔH_f, kcal/mol:	58.09
Dipole, Da:	4.01
IP(EA), eV:	-8.56(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[1-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]benzoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2CC3C(=O)N(C=CN3N2)CC4=NC(=NO4)C5=CC=CC=C5C

DOS

IR

Vibrations