Geometry & MOs

Info

ID:	273125
PubChem CID:	103770538
Reduced:	NO3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	199.157229
ΔH_f, kcal/mol:	-121.16
Dipole, Da:	4.37
IP(EA), eV:	-8.95(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(3-ethyl-2-hydroxypentyl)but-2-enamide

Drug info:

PubChemData

Smile

CCC(CC)C(CNC(=O)/C=C/C1=CC=C(C=C1)OC)O

DOS

IR

Vibrations