Geometry & MOs

Info

ID:	77604
PubChem CID:	49658371
Reduced:	NF2O3H15C18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	456.216141
ΔH_f, kcal/mol:	-170.78
Dipole, Da:	7.42
IP(EA), eV:	-9.11(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)-9-(3-hydroxyphenyl)-6,6-dimethyl-8-oxo-1,5,7,9-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CC(=O)N(C(=O)C2)C3=CC(=C(C=C3)F)F

DOS

IR

Vibrations