Geometry & MOs

Info

ID:	137421
PubChem CID:	52206280
Reduced:	N3O5C22H23 (1)
Stoich.:	A3B5C22D23 (1)
Weight, g/mol:	446.175419
ΔH_f, kcal/mol:	-164.63
Dipole, Da:	0.31
IP(EA), eV:	-8.89(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C)N1C(=O)C2=CC=CC=C2N(C1=O)CC(=O)NCC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations