Geometry & MOs

Info

ID:	26803
PubChem CID:	798561
Reduced:	N3O5H13C17 (1)
Stoich.:	A3B5C13D17 (1)
Weight, g/mol:	271.11209
ΔH_f, kcal/mol:	-55.48
Dipole, Da:	4.28
IP(EA), eV:	-9.06(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])COC2=CC=C(C=C2)/C=C/3\C(=O)NC(=O)N3

DOS

IR

Vibrations