Geometry & MOs

Info

ID:	67285
PubChem CID:	46506209
Reduced:	N5O6H25C27 (1)
Stoich.:	A5B6C25D27 (1)
Weight, g/mol:	425.09502
ΔH_f, kcal/mol:	-97.6
Dipole, Da:	5.24
IP(EA), eV:	-8.99(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-(3-propan-2-yloxypropyl)butanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-])NC2=O

DOS

IR

Vibrations