Geometry & MOs

Info

ID:	251121
PubChem CID:	103101625
Reduced:	ClN2O2C9H17 (1)
Stoich.:	AB2C2D9E17 (1)
Weight, g/mol:	170.105528
ΔH_f, kcal/mol:	-124.38
Dipole, Da:	5.22
IP(EA), eV:	-9.86(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(2-amino-2-oxoethyl)-N-ethylbut-2-enamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C(=O)CCCCCl

DOS

IR

Vibrations