Geometry & MOs

Info

ID:	443534
PubChem CID:	135259275
Reduced:	ON2C12H15 (2)
Stoich.:	AB2C12D15 (2)
Weight, g/mol:	477.142402
ΔH_f, kcal/mol:	-43.4
Dipole, Da:	2.33
IP(EA), eV:	-8.89(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C(=C(/C)\C(=O)NC1(CCCCC1)C)/C=C(\C(=O)C)/NC2=NC=NC3=CC=CC=C32

DOS

IR

Vibrations