Geometry & MOs

Info

ID:	378491
PubChem CID:	134224577
Reduced:	O2F5N5H22C24 (1)
Stoich.:	A2B5C5D22E24 (1)
Weight, g/mol:	226.088832
ΔH_f, kcal/mol:	-217.91
Dipole, Da:	5.34
IP(EA), eV:	-9.18(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-methylsulfanyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C2=C(C(=C(C=C2)F)F)C(F)(F)F)C(C3=NNC4=C3CN(C4)C(=O)C5=CC=CC=N5)O

DOS

IR

Vibrations