Geometry & MOs

Info

ID:	193003
PubChem CID:	78336555
Reduced:	O4N5H23C25 (1)
Stoich.:	A4B5C23D25 (1)
Weight, g/mol:	424.09977
ΔH_f, kcal/mol:	-19.5
Dipole, Da:	4.01
IP(EA), eV:	-8.23(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenoxy)ethyl 3-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)propanoate

Drug info:

PubChemData

Smile

CN(C)C1=CC(=C(C=C1)C=NN2C(=O)C3C=CC=CC3=NC2=O)OCC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations