Geometry & MOs

Info

ID:	208281
PubChem CID:	80511673
Reduced:	SN5C11H17 (1)
Stoich.:	AB5C11D17 (1)
Weight, g/mol:	283.14331
ΔH_f, kcal/mol:	68.98
Dipole, Da:	5.6
IP(EA), eV:	-8.8(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-nitroso-[3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyridazin-4-ylidene]methanamine

Drug info:

PubChemData

Smile

CN(C)C1CCN(C1)C2=C(C=CN=N2)C(=S)N

DOS

IR

Vibrations