Geometry & MOs

Info

ID:	183114
PubChem CID:	76980502
Reduced:	ClN4O4C12H13 (1)
Stoich.:	AB4C4D12E13 (1)
Weight, g/mol:	278.120132
ΔH_f, kcal/mol:	-5.15
Dipole, Da:	7.67
IP(EA), eV:	-8.32(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-2-ylidene]-nitrosomethanamine

Drug info:

PubChemData

Smile

C1CNC(=C(N)N=O)CC1OC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations