Geometry & MOs

Info

ID:	242810
PubChem CID:	99206452
Reduced:	ClO4N6C23H23 (1)
Stoich.:	AB4C6D23E23 (1)
Weight, g/mol:	425.148789
ΔH_f, kcal/mol:	-19.86
Dipole, Da:	8.17
IP(EA), eV:	-9.25(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-oxo-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-1H-pyrazolo[1,5-a]quinazoline-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=N1)NC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)C4=CC(=CN4)Cl)[N+](=O)[O-]

DOS

IR

Vibrations