Geometry & MOs

Info

ID:	307999
PubChem CID:	125311187
Reduced:	N3O5C20H25 (1)
Stoich.:	A3B5C20D25 (1)
Weight, g/mol:	377.109959
ΔH_f, kcal/mol:	-142.59
Dipole, Da:	6.28
IP(EA), eV:	-8.64(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[[3-(trifluoromethyl)phenyl]diazenyl]-1,3,5,6,7,8-hexahydropyrazolo[5,1-b]quinazoline-2,9-dione

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=NN=C(C2)C3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations