Geometry & MOs

Info

ID:	142825
PubChem CID:	53097375
Reduced:	SN2O5C26H26 (1)
Stoich.:	AB2C5D26E26 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	-127.89
Dipole, Da:	9.07
IP(EA), eV:	-9.03(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8,8-dimethyl-N-(3-methylbutyl)-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)S(=O)(=O)C2=C(C=C3C(=C2)C(=O)NC4=C(O3)C=C(C=C4)C)OC5=CC=CC=C5

DOS

IR

Vibrations