Geometry & MOs

Info

ID:	180433
PubChem CID:	76632060
Reduced:	BrON4H13C17 (1)
Stoich.:	ABC4D13E17 (1)
Weight, g/mol:	400.04091
ΔH_f, kcal/mol:	94.34
Dipole, Da:	6.65
IP(EA), eV:	-9.36(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(9-bromo-8-methoxy-3,9-dihydro-2H-imidazo[1,2-c]quinazolin-4-ium-5-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN2C(=CC(=O)C3=CN=CC=C3)N=C4C=C(C=CC4C2=N1)Br

DOS

IR

Vibrations