Geometry & MOs

Info

ID:	180434
PubChem CID:	76632061
Reduced:	BrO2N5H15C17 (1)
Stoich.:	AB2C5D15E17 (1)
Weight, g/mol:	328.988945
ΔH_f, kcal/mol:	33.11
Dipole, Da:	6.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.082292
Charge, e:	0

Chem-info

IUPAC name:

3-(3,10a-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1,1,1-trichloropropan-2-one

Drug info:

PubChemData

Smile

COC1=CC2=NC(=[N+]3CCN=C3C2=CC1Br)NC(=O)C4=CN=CC=C4

DOS

IR

Vibrations