Geometry & MOs

Info

ID:	343140
PubChem CID:	127266313
Reduced:	FON3C6H7 (2)
Stoich.:	ABC3D6E7 (2)
Weight, g/mol:	310.154209
ΔH_f, kcal/mol:	-108.69
Dipole, Da:	2.16
IP(EA), eV:	-8.99(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-pyrazolo[1,5-a]pyridin-3-yl-4,6,7,8-tetrahydropyrazolo[4,3-c]azepine-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC(=O)NCC2=NC(=NN2)N)OCC(F)F

DOS

IR

Vibrations