Geometry & MOs

Info

ID:	218365
PubChem CID:	85089234
Reduced:	N2O5C26H32 (1)
Stoich.:	A2B5C26D32 (1)
Weight, g/mol:	456.274993
ΔH_f, kcal/mol:	-187.64
Dipole, Da:	7.35
IP(EA), eV:	-9.7(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-methyl-N-[phenyl(tetrazolidin-5-yl)methyl]aniline

Drug info:

PubChemData

Smile

CCCC(C1=CC=CC=C1)NC(=O)N2C(C(C2=O)(CC)CCC)OC3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations