Geometry & MOs

Info

ID:	131817
PubChem CID:	51264534
Reduced:	O3N4C15H20 (1)
Stoich.:	A3B4C15D20 (1)
Weight, g/mol:	329.210327
ΔH_f, kcal/mol:	-88.96
Dipole, Da:	2.49
IP(EA), eV:	-9.16(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylhexyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide

Drug info:

PubChemData

Smile

C1CC(OC1)C(=O)N2CCN(CC2)C(=O)NC3=CN=CC=C3

DOS

IR

Vibrations