Geometry & MOs

Info

ID:	180432
PubChem CID:	76632059
Reduced:	OF3N4H13C18 (1)
Stoich.:	AB3C4D13E18 (1)
Weight, g/mol:	368.02727
ΔH_f, kcal/mol:	-67.41
Dipole, Da:	8.91
IP(EA), eV:	-9.4(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(8-bromo-3,10a-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-pyridin-3-ylethanone

Drug info:

PubChemData

Smile

C1CN2C(=CC(=O)C3=CN=CC=C3)N=C4C(C2=N1)C=CC=C4C(F)(F)F

DOS

IR

Vibrations