Geometry & MOs

Info

ID:	59548
PubChem CID:	24875283
Reduced:	N3O3H15C19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	256.096026
ΔH_f, kcal/mol:	-12.8
Dipole, Da:	10.51
IP(EA), eV:	-9.02(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC(=C1)CC2=CC3=NC(=O)C4=CC=CC=C4N3N2

DOS

IR

Vibrations