Geometry & MOs

Info

ID:	33470
PubChem CID:	7886640
Reduced:	BrN3O3C19H20 (1)
Stoich.:	AB3C3D19E20 (1)
Weight, g/mol:	413.07389
ΔH_f, kcal/mol:	-68.95
Dipole, Da:	7.21
IP(EA), eV:	-9.07(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-(6-bromo-4-oxoquinazolin-3-yl)-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CCOC)C)C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Br

DOS

IR

Vibrations