Geometry & MOs

Info

ID:	218169
PubChem CID:	85088986
Reduced:	N4O5C23H24 (1)
Stoich.:	A4B5C23D24 (1)
Weight, g/mol:	444.216141
ΔH_f, kcal/mol:	-109.26
Dipole, Da:	5.06
IP(EA), eV:	-8.71(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[(4-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)C(C#N)(C1=CC=CC=C1)C(C(=NNC(=O)NC2=CC=CC=C2)C)C(=O)OC

DOS

IR

Vibrations