Geometry & MOs

Info

ID:	146262
PubChem CID:	53660928
Reduced:	FON5C24H28 (1)
Stoich.:	ABC5D24E28 (1)
Weight, g/mol:	256.168797
ΔH_f, kcal/mol:	25.74
Dipole, Da:	3.77
IP(EA), eV:	-8.85(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-(cyclohexylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C1=CC=C(C=C1)C2=CC=CC=C2F)C3=NOC(=C3)N=C(N)N4CCN(CC4)C

DOS

IR

Vibrations