Geometry & MOs

Info

ID:	273166
PubChem CID:	103770612
Reduced:	NO3C11H23 (1)
Stoich.:	AB3C11D23 (1)
Weight, g/mol:	265.179027
ΔH_f, kcal/mol:	-169.7
Dipole, Da:	2.31
IP(EA), eV:	-9.78(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(3-ethyl-2-hydroxypentyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCC(CC)C(CNC(=O)COCC)O

DOS

IR

Vibrations