Geometry & MOs

Info

ID:	170480
PubChem CID:	75239536
Reduced:	N2O4C6H9 (2)
Stoich.:	A2B4C6D9 (2)
Weight, g/mol:	426.185138
ΔH_f, kcal/mol:	-344.85
Dipole, Da:	7.53
IP(EA), eV:	-10.32(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3-(2-thiophen-2-ylethyl)-4aH-quinazolin-1-ium-2,4-dione

Drug info:

PubChemData

Smile

C1CN(C(=O)NC1=O)C2C(C(C(O2)C(C(=O)O)NC(=O)CN)O)O

DOS

IR

Vibrations