Geometry & MOs

Info

ID:	423988
PubChem CID:	135120945
Reduced:	FO2N6H19C24 (1)
Stoich.:	AB2C6D19E24 (1)
Weight, g/mol:	424.164774
ΔH_f, kcal/mol:	36.4
Dipole, Da:	3.88
IP(EA), eV:	-9.04(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OC2=C(C=CC=N2)F)CN3C=C(C=N3)C(=O)NCC4=CN=C5C(=C4)C=CN5

DOS

IR

Vibrations