Geometry & MOs

Info

ID:	77253
PubChem CID:	48425979
Reduced:	N3O3C18H25 (1)
Stoich.:	A3B3C18D25 (1)
Weight, g/mol:	408.0797
ΔH_f, kcal/mol:	-137.83
Dipole, Da:	1.66
IP(EA), eV:	-8.79(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(diethylamino)-2-oxoethyl]propanamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)CCC1CC2=CC=CC=C2NC1=O

DOS

IR

Vibrations