Geometry & MOs

Info

ID:	33451
PubChem CID:	7886553
Reduced:	BrO2N3C15H16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	385.04259
ΔH_f, kcal/mol:	-55.68
Dipole, Da:	1.37
IP(EA), eV:	-9.54(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(1R)-1-phenylethyl]acetamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Br

DOS

IR

Vibrations