Geometry & MOs

Info

ID:	214504
PubChem CID:	85083132
Reduced:	OSiC36H66 (1)
Stoich.:	ABC36D66 (1)
Weight, g/mol:	542.176106
ΔH_f, kcal/mol:	-196.08
Dipole, Da:	1.96
IP(EA), eV:	-8.7(1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(anthracen-9-ylmethyl)-6-chloro-4-cyclopropyl-4-[2-(4-methoxyphenyl)ethynyl]-3H-quinazolin-2-one

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4CC=C)O[Si](C)(C)C(C)(C)C)C)C

DOS

IR

Vibrations