Geometry & MOs

Info

ID:	443528
PubChem CID:	135259257
Reduced:	O2N7C14H15 (1)
Stoich.:	A2B7C14D15 (1)
Weight, g/mol:	473.167474
ΔH_f, kcal/mol:	-4.02
Dipole, Da:	1.87
IP(EA), eV:	-8.89(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2C(=O)NC3(N2C(=O)C(=C1)NC4=NC=NC(=N4)N)CCC3

DOS

IR

Vibrations