Geometry & MOs

Info

ID:	33463
PubChem CID:	7886615
Reduced:	BrFO2N3H13C17 (1)
Stoich.:	ABC2D3E13F17 (1)
Weight, g/mol:	365.07389
ΔH_f, kcal/mol:	-69.4
Dipole, Da:	2.69
IP(EA), eV:	-8.99(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-4-oxoquinazolin-3-yl)-N,N-di(propan-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Br)F

DOS

IR

Vibrations