Geometry & MOs

Info

ID:	128681
PubChem CID:	51053903
Reduced:	ClO2N3C15H16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	427.174336
ΔH_f, kcal/mol:	-42.48
Dipole, Da:	3.5
IP(EA), eV:	-9.46(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 9-(4-hydroxy-3,5-dimethoxyphenyl)-6,6-dimethyl-8-oxo-1,5,7,9-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)NC(=O)CN1C(=O)C=CC(=N1)C2=CC=CC=C2Cl

DOS

IR

Vibrations