Geometry & MOs

Info

ID:	422868
PubChem CID:	135118539
Reduced:	N2O5C16H18 (1)
Stoich.:	A2B5C16D18 (1)
Weight, g/mol:	335.140055
ΔH_f, kcal/mol:	-130.53
Dipole, Da:	5.22
IP(EA), eV:	-9.09(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[2-(2-ethylimidazol-1-yl)ethyl]-4-propoxybenzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C(=NO2)N3CCC(C3)CO)C(=O)O

DOS

IR

Vibrations