Geometry & MOs

Info

ID:	131892
PubChem CID:	51275169
Reduced:	N2O3C23H26 (1)
Stoich.:	A2B3C23D26 (1)
Weight, g/mol:	338.13789
ΔH_f, kcal/mol:	-85.59
Dipole, Da:	4.46
IP(EA), eV:	-9.17(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dioxoquinazolin-1-yl)-N-(1-pyridin-4-ylethyl)propanamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N2CCOCC2)C(=O)C3=CC=CC=C3C4=CC=CC=C4

DOS

IR

Vibrations