Geometry & MOs

Info

ID:	311467
PubChem CID:	126592933
Reduced:	O5C11H16 (1)
Stoich.:	A5B11C16 (1)
Weight, g/mol:	251.163377
ΔH_f, kcal/mol:	-215.35
Dipole, Da:	3.0
IP(EA), eV:	-10.03(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(ethylideneamino)-3-methyl-N-[1-(2-methylpropanoylamino)ethenyl]but-2-enamide

Drug info:

PubChemData

Smile

C(CC=O)CC(=O)C[C@H](CCC(=O)O)C=O

DOS

IR

Vibrations