Geometry & MOs

Info

ID:	427976
PubChem CID:	135165617
Reduced:	N7O7C13H23 (1)
Stoich.:	A7B7C13D23 (1)
Weight, g/mol:	394.192425
ΔH_f, kcal/mol:	-176.98
Dipole, Da:	2.78
IP(EA), eV:	-9.98(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-chloro-3-(5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)phenyl]-N,2-dimethylaniline

Drug info:

PubChemData

Smile

C[C@H](C1C([C@@H](C(C(O1)OC2[C@@H](C(C(CC2N=[N+]=[N-])N)O)O)N=[N+]=[N-])O)O)O

DOS

IR

Vibrations