Geometry & MOs

Info

ID:	411545
PubChem CID:	135084377
Reduced:	OPSC13H14 (1)
Stoich.:	ABCD13E14 (1)
Weight, g/mol:	216.162649
ΔH_f, kcal/mol:	3.82
Dipole, Da:	4.78
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754258
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-3-oct-1-ynylpyridin-2-amine

Drug info:

PubChemData

Smile

CC(C)[P+](=O)C1=CC=CC=C1C2=CSC=C2

DOS

IR

Vibrations