Geometry & MOs

Info

ID:	84084
PubChem CID:	49864040
Reduced:	ClN2O5C26H31 (1)
Stoich.:	AB2C5D26E31 (1)
Weight, g/mol:	279.183444
ΔH_f, kcal/mol:	-125.12
Dipole, Da:	9.47
IP(EA), eV:	-9.67(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hexyl-3-(4-hydroxy-3-methoxyphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OCCCCCCCCCCN2C(=O)C3=CC=CC=C3C2=O)C)[N+](=O)[O-])Cl

DOS

IR

Vibrations