Geometry & MOs

Info

ID:	130609
PubChem CID:	51091632
Reduced:	N3O3C19H19 (1)
Stoich.:	A3B3C19D19 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-35.25
Dipole, Da:	4.34
IP(EA), eV:	-9.25(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dibutyl-5-oxo-1H-pyrazolo[1,5-a]quinazoline-3-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)C1=CC=CC=C1NC(=O)C2=NOC(C2)C3=CC=CC=C3

DOS

IR

Vibrations