Geometry & MOs

Info

ID:	165928
PubChem CID:	74615129
Reduced:	IN3O3H18C19 (1)
Stoich.:	AB3C3D18E19 (1)
Weight, g/mol:	365.173942
ΔH_f, kcal/mol:	-3.64
Dipole, Da:	3.87
IP(EA), eV:	-9.47(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyethyl)-2,5-dimethyl-N-[(4-oxo-4aH-quinazolin-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

COCCN(CC1=NC(=O)C2C=CC=CC2=N1)C(=O)C3=CC=CC=C3I

DOS

IR

Vibrations