Geometry & MOs

Info

ID:	62765
PubChem CID:	26736661
Reduced:	ClN2O2C21H23 (1)
Stoich.:	AB2C2D21E23 (1)
Weight, g/mol:	421.223966
ΔH_f, kcal/mol:	-50.03
Dipole, Da:	2.9
IP(EA), eV:	-8.93(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(1-benzylpiperidin-1-ium-4-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)[C@@H]2CC3=C(O2)C=CC(=C3)Cl)CC4=CC=CC=C4

DOS

IR

Vibrations