Geometry & MOs

Info

ID:	232707
PubChem CID:	87576765
Reduced:	ClION5C16H17 (1)
Stoich.:	ABCD5E16F17 (1)
Weight, g/mol:	640.20301
ΔH_f, kcal/mol:	47.61
Dipole, Da:	7.44
IP(EA), eV:	-8.57(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(5,6,7-trimethoxy-4-oxo-1H-quinazolin-2-yl)pyrazole-4-carbonyl] 1-(6-tert-butyl-4-oxo-1H-quinazolin-2-yl)pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=CN=C(C(=C1OC)C)CN2C=C(C3=C2N=C(N=C3Cl)N)I

DOS

IR

Vibrations