Geometry & MOs

Info

ID:	311477
PubChem CID:	126592943
Reduced:	OS2N4C10H16 (1)
Stoich.:	AB2C4D10E16 (1)
Weight, g/mol:	305.12949
ΔH_f, kcal/mol:	1.38
Dipole, Da:	5.46
IP(EA), eV:	-8.97(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1E,2E,6E)-8-chloro-5,6-dimethyl-7-(prop-2-ynylideneamino)-4,5-dihydroazocin-2-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)CSSCCNC(=O)CNN

DOS

IR

Vibrations