Geometry & MOs

Info

ID:	284062
PubChem CID:	104032339
Reduced:	FOSN2H11C13 (1)
Stoich.:	ABCD2E11F13 (1)
Weight, g/mol:	218.153147
ΔH_f, kcal/mol:	-38.14
Dipole, Da:	6.26
IP(EA), eV:	-9.04(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[methyl-[2-(propylamino)pyridin-4-yl]amino]propanenitrile

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)SC2=CC(=NC=C2)F

DOS

IR

Vibrations