Geometry & MOs

Info

ID:	276104
PubChem CID:	103820597
Reduced:	N3O4C12H19 (1)
Stoich.:	A3B4C12D19 (1)
Weight, g/mol:	295.133907
ΔH_f, kcal/mol:	-92.72
Dipole, Da:	4.75
IP(EA), eV:	-10.3(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-chlorophenyl)-N-[2-(2-hydroxyethyl)pentyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCCC(CCO)CNC(=O)C1=CC=C(N1)[N+](=O)[O-]

DOS

IR

Vibrations