Geometry & MOs

Info

ID:	373455
PubChem CID:	131315579
Reduced:	ON2H8C12 (1)
Stoich.:	AB2C8D12 (1)
Weight, g/mol:	189.126598
ΔH_f, kcal/mol:	46.19
Dipole, Da:	2.23
IP(EA), eV:	-9.28(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(1H-pyrrolo[2,3-c]pyridin-3-yl)butan-1-amine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=C(C=CN=C2)C#N)O

DOS

IR

Vibrations