Geometry & MOs

Info

ID:	165926
PubChem CID:	74615127
Reduced:	N3O5C23H25 (1)
Stoich.:	A3B5C23D25 (1)
Weight, g/mol:	445.06372
ΔH_f, kcal/mol:	-85.24
Dipole, Da:	5.16
IP(EA), eV:	-8.07(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromophenoxy)-N-(2-methoxyethyl)-N-[(4-oxo-4aH-quinazolin-2-yl)methyl]acetamide

Drug info:

PubChemData

Smile

COCCN(CC1=NC(=O)C2C=CC=CC2=N1)C(=O)C=CC3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations