Geometry & MOs

Info

ID:	335606
PubChem CID:	127254468
Reduced:	N3O5C27H31 (1)
Stoich.:	A3B5C27D31 (1)
Weight, g/mol:	389.054526
ΔH_f, kcal/mol:	-149.36
Dipole, Da:	5.59
IP(EA), eV:	-8.85(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-5-nitrophenyl)-3-(1-hydroxy-3,4,5-trimethylimidazol-3-ium-2-yl)propanoic acid;chloride

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3N(C(=O)C4=CC=CC=C4N3C2=O)CC(=O)NC5CCCCCCC5)OC

DOS

IR

Vibrations