Geometry & MOs

Info

ID:	165927
PubChem CID:	74615128
Reduced:	BrN3O4C20H20 (1)
Stoich.:	AB3C4D20E20 (1)
Weight, g/mol:	463.03929
ΔH_f, kcal/mol:	-52.51
Dipole, Da:	4.57
IP(EA), eV:	-9.16(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-N-(2-methoxyethyl)-N-[(4-oxo-4aH-quinazolin-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

COCCN(CC1=NC(=O)C2C=CC=CC2=N1)C(=O)COC3=CC(=CC=C3)Br

DOS

IR

Vibrations