Geometry & MOs

Info

ID:	145197
PubChem CID:	53476897
Reduced:	NO9C38H57 (1)
Stoich.:	AB9C38D57 (1)
Weight, g/mol:	383.034065
ΔH_f, kcal/mol:	-365.1
Dipole, Da:	5.4
IP(EA), eV:	-8.69(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyridine-3-carbaldehyde

Drug info:

PubChemData

Smile

CCOCCOCCOCCOC(=O)OC1=C2C3=C(C[C@@H]4C56C3(CCN4CC7CC7)[C@@H](O2)[C@](CC5)([C@H](C6)[C@@](C)(C(C)(C)C)O)OC)C=C1

DOS

IR

Vibrations