Geometry & MOs

Info

ID:	299174
PubChem CID:	117673899
Reduced:	SN6O6C27H32 (1)
Stoich.:	AB6C6D27E32 (1)
Weight, g/mol:	390.132805
ΔH_f, kcal/mol:	-145.79
Dipole, Da:	4.11
IP(EA), eV:	-8.41(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,5-dimethoxybenzoyl)-3-(1-methylpyrazol-4-yl)quinazolin-4-one

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)N1C=CN=C1CN(C2=CC3=C(C=C2)N=CN(C3=O)C4CCOCC4)C5=CC(=CC(=C5)OC)OC

DOS

IR

Vibrations