Geometry & MOs

Info

ID:	218215
PubChem CID:	85089037
Reduced:	NO5C26H33 (1)
Stoich.:	AB5C26D33 (1)
Weight, g/mol:	445.272927
ΔH_f, kcal/mol:	-187.54
Dipole, Da:	3.87
IP(EA), eV:	-9.32(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-benzhydrylpiperidin-1-yl)ethyl]-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione

Drug info:

PubChemData

Smile

C1CCC(C1)C(C2=CC=CC=C2)(C(O)OC3CCN(C3)C(=O)COCC4=CC=CC=C4)O

DOS

IR

Vibrations