Geometry & MOs

Info

ID:	28411
PubChem CID:	827441
Reduced:	ON2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	227.966334
ΔH_f, kcal/mol:	-67.69
Dipole, Da:	3.19
IP(EA), eV:	-9.01(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-acetyl-2-nitrothiophen-3-yl) thiocyanate

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)NC[C@H]2CC(=O)N(C2)CC3=CC=CC=C3

DOS

IR

Vibrations