Geometry & MOs

Info

ID:	443490
PubChem CID:	135259179
Reduced:	IN2O3C11H13 (1)
Stoich.:	AB2C3D11E13 (1)
Weight, g/mol:	389.185175
ΔH_f, kcal/mol:	-74.0
Dipole, Da:	2.47
IP(EA), eV:	-9.57(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C(=C1I)C/C=C/C(=O)OC)C(=O)C

DOS

IR

Vibrations