Geometry & MOs

Info

ID:	311478
PubChem CID:	126592944
Reduced:	ClON3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	269.12949
ΔH_f, kcal/mol:	47.21
Dipole, Da:	1.5
IP(EA), eV:	-8.95(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E)-2-(ethylideneamino)-3-methyl-N-[1-(2-methylpropanoylamino)ethenyl]but-2-enimidoyl chloride

Drug info:

PubChemData

Smile

CC\1C/C=C(/N=C(\C(=C1\C)\N=CC#C)/Cl)\NC(=O)C(C)C

DOS

IR

Vibrations