Geometry & MOs

Info

ID:	148941
PubChem CID:	53788611
Reduced:	ClN3O3H26C27 (1)
Stoich.:	AB3C3D26E27 (1)
Weight, g/mol:	491.10875
ΔH_f, kcal/mol:	-35.67
Dipole, Da:	3.76
IP(EA), eV:	-8.26(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-[[4-(2-chlorocyclohexyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-c]quinazolin-5-one

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C=CC(=C2)NC(=O)C3(C(CN=N3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)OC)C

DOS

IR

Vibrations