Geometry & MOs

Info

ID:	416088
PubChem CID:	135089096
Reduced:	NO5C20H29 (1)
Stoich.:	AB5C20D29 (1)
Weight, g/mol:	432.227374
ΔH_f, kcal/mol:	-204.81
Dipole, Da:	1.64
IP(EA), eV:	-8.43(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-oxopropyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CCOCCC(=O)N1CCC2(CC1)C3=CC(=C(C=C3CCO2)OC)OC

DOS

IR

Vibrations