Geometry & MOs

Info

ID:	60133
PubChem CID:	26675744
Reduced:	BrO2N4C20H23 (1)
Stoich.:	AB2C4D20E23 (1)
Weight, g/mol:	430.10044
ΔH_f, kcal/mol:	-28.69
Dipole, Da:	6.63
IP(EA), eV:	-9.2(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]acetamide

Drug info:

PubChemData

Smile

C[C@@]1\2CC[C@@H](C1(C)C)C/C2=N\NC(=O)CN3C=NC4=C(C3=O)C=C(C=C4)Br

DOS

IR

Vibrations