Geometry & MOs

Info

ID:	266660
PubChem CID:	103578028
Reduced:	SO3N4H10C12 (1)
Stoich.:	AB3C4D10E12 (1)
Weight, g/mol:	213.126598
ΔH_f, kcal/mol:	48.56
Dipole, Da:	10.63
IP(EA), eV:	-9.79(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-(pent-1-yn-3-ylamino)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1[N+](=O)[O-])C#N)NCC(C2=CSC=C2)O

DOS

IR

Vibrations