Geometry & MOs

Info

ID:	423987
PubChem CID:	135120943
Reduced:	O2F3N6H23C25 (1)
Stoich.:	A2B3C6D23E25 (1)
Weight, g/mol:	442.155352
ΔH_f, kcal/mol:	-109.13
Dipole, Da:	3.21
IP(EA), eV:	-8.59(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C2=NN(C=C2C(=O)NCC3=CC4=C(C=C3)C(=NC=C4)N)CC5=CN=C(C=C5)OCC(F)(F)F

DOS

IR

Vibrations