Geometry & MOs

Info

ID:	373197
PubChem CID:	131311383
Reduced:	ON2C11H12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	188.106196
ΔH_f, kcal/mol:	1.75
Dipole, Da:	4.66
IP(EA), eV:	-8.64(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2,6-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridine-4-carbonitrile

Drug info:

PubChemData

Smile

C1CNC2=C(CC1C#N)C=CC=C2O

DOS

IR

Vibrations