Geometry & MOs

Info

ID:	167617
PubChem CID:	74848410
Reduced:	FO2N3H24C31 (1)
Stoich.:	AB2C3D24E31 (1)
Weight, g/mol:	421.200156
ΔH_f, kcal/mol:	1.85
Dipole, Da:	5.19
IP(EA), eV:	-8.38(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-2-[3-(3-methylphenyl)-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=CC(=O)NC2=CC3=C(C=C2)N(C(=C3)C(=O)NC4=CC=CC=C4)CC5=CC=CC=C5F

DOS

IR

Vibrations