Geometry & MOs

Info

ID:	417765
PubChem CID:	135102668
Reduced:	NC6H7 (3)
Stoich.:	AB6C7 (3)
Weight, g/mol:	509.207447
ΔH_f, kcal/mol:	52.27
Dipole, Da:	3.23
IP(EA), eV:	-8.64(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-23-methoxy-15-(1H-pyrazole-4-carbonyl)-2-oxa-10,15,19-triazatricyclo[19.2.2.03,8]pentacosa-1(23),3(8),4,6,21,24-hexaene-11,20-dione

Drug info:

PubChemData

Smile

CN1CCCC2(C1)CCC3=CN=C(N=C23)C4=CC=CC=C4

DOS

IR

Vibrations