Geometry & MOs

Info

ID:	438452
PubChem CID:	135228193
Reduced:	NPO4C7H11 (2)
Stoich.:	ABC4D7E11 (2)
Weight, g/mol:	174.115698
ΔH_f, kcal/mol:	-420.91
Dipole, Da:	2.8
IP(EA), eV:	-8.68(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hex-1-ynylpyridin-2-amine

Drug info:

PubChemData

Smile

CCCCCOC1=CC2=C(C=C1)N(C=N2)CC(O)(P(=O)(O)O)P(=O)(O)O

DOS

IR

Vibrations