Geometry & MOs

Info

ID:	166246
PubChem CID:	74656424
Reduced:	O2N5C28H33 (1)
Stoich.:	A2B5C28D33 (1)
Weight, g/mol:	337.119319
ΔH_f, kcal/mol:	19.96
Dipole, Da:	8.0
IP(EA), eV:	-8.44(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(7-chloro-4-oxo-4aH-quinazolin-2-yl)methyl]-2-ethoxy-N-propylacetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(CNC(=O)C=CC2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4)N5CCOCC5

DOS

IR

Vibrations