Geometry & MOs

Info

ID:	423989
PubChem CID:	135120946
Reduced:	ON3H10C12 (2)
Stoich.:	AB3C10D12 (2)
Weight, g/mol:	456.171002
ΔH_f, kcal/mol:	78.22
Dipole, Da:	6.22
IP(EA), eV:	-9.09(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-[(6-fluoropyridin-2-yl)oxymethyl]phenyl]methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)OC2=CC=C(C=C2)CN3C=C(C=N3)C(=O)NCC4=CN=C5C(=C4)C=CN5

DOS

IR

Vibrations