Geometry & MOs

Info

ID:	297929
PubChem CID:	117636505
Reduced:	BrO3N6H23C24 (1)
Stoich.:	AB3C6D23E24 (1)
Weight, g/mol:	460.134697
ΔH_f, kcal/mol:	7.25
Dipole, Da:	6.71
IP(EA), eV:	-8.23(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-difluorophenyl)-1-[5-([1,3]dioxolo[4,5-g]quinazolin-8-ylamino)-2,3-dihydroindol-1-yl]ethanone

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)Br)CC(=O)N2CCC3=C2C=CC(=C3)NC4=NC=NC5=CC(=C(C=C54)OC)OC

DOS

IR

Vibrations