Geometry & MOs

Info

ID:	150443
PubChem CID:	53790133
Reduced:	ClNO3C12H12 (1)
Stoich.:	ABC3D12E12 (1)
Weight, g/mol:	354.091725
ΔH_f, kcal/mol:	-37.4
Dipole, Da:	5.62
IP(EA), eV:	-10.13(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-[[2-[2-(1-nitrobut-3-en-2-ylsulfanyl)ethyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine

Drug info:

PubChemData

Smile

CC=CCC1=C(C=C(C(=C1)C)C(=O)Cl)[N+](=O)[O-]

DOS

IR

Vibrations