Geometry & MOs

Info

ID:	441047
PubChem CID:	135232871
Reduced:	N5C9H13 (1)
Stoich.:	A5B9C13 (1)
Weight, g/mol:	345.187484
ΔH_f, kcal/mol:	92.15
Dipole, Da:	3.32
IP(EA), eV:	-8.52(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-1-[(2-pyridin-2-ylacetyl)amino]but-1-enyl] N-methylcyclohexanecarboximidothioate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=NNN2C)N

DOS

IR

Vibrations