Geometry & MOs

Info

ID:	273598
PubChem CID:	103771443
Reduced:	O2N5C14H19 (1)
Stoich.:	A2B5C14D19 (1)
Weight, g/mol:	275.188529
ΔH_f, kcal/mol:	-9.72
Dipole, Da:	2.63
IP(EA), eV:	-9.84(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-ethylphenyl)-N-(2-hydroxy-4-methylpentyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1=CC=C(C=C1)C2=NNN=N2)O

DOS

IR

Vibrations