Geometry & MOs

Info

ID:	443507
PubChem CID:	135259221
Reduced:	BrN2O3F5H14C15 (1)
Stoich.:	AB2C3D5E14F15 (1)
Weight, g/mol:	393.160103
ΔH_f, kcal/mol:	-377.33
Dipole, Da:	4.69
IP(EA), eV:	-9.61(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(8-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

Drug info:

PubChemData

Smile

CC1=C2C(=O)NC3(N2C(=O)C(=C1)Br)CCC(CC3)(C(C(F)(F)F)(F)F)O

DOS

IR

Vibrations