Geometry & MOs

Info

ID:	177934
PubChem CID:	76253887
Reduced:	N2O4C21H32 (1)
Stoich.:	A2B4C21D32 (1)
Weight, g/mol:	427.185569
ΔH_f, kcal/mol:	-147.84
Dipole, Da:	4.21
IP(EA), eV:	-8.33(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]propanamide

Drug info:

PubChemData

Smile

CC(C)COC1=C(C=C(C=C1)C=CC(=O)NC(C)CN2CCOCC2)OC

DOS

IR

Vibrations