Geometry & MOs

Info

ID:	60129
PubChem CID:	26675732
Reduced:	BrN3O4H16C18 (1)
Stoich.:	AB3C4D16E18 (1)
Weight, g/mol:	475.08954
ΔH_f, kcal/mol:	-96.47
Dipole, Da:	4.09
IP(EA), eV:	-8.99(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-phenylethyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Br)OC

DOS

IR

Vibrations