Geometry & MOs

Info

ID:	407543
PubChem CID:	135080290
Reduced:	NF3O3H8C10 (1)
Stoich.:	AB3C3D8E10 (1)
Weight, g/mol:	172.074896
ΔH_f, kcal/mol:	-158.33
Dipole, Da:	3.45
IP(EA), eV:	-10.24(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methylamino)-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C=C(C(F)(F)F)OCC1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations