Geometry & MOs

Info

ID:	395016
PubChem CID:	135024444
Reduced:	NCl2O6C18H19 (1)
Stoich.:	AB2C6D18E19 (1)
Weight, g/mol:	554.267321
ΔH_f, kcal/mol:	-224.77
Dipole, Da:	3.18
IP(EA), eV:	-9.79(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(1-tert-butyltetrazol-5-yl)-(4-chloroanilino)methyl]phenyl]-N-cyclohexylimidazo[1,2-a]pyridin-3-amine

Drug info:

PubChemData

Smile

CCOC(=O)C(C1C(=C(C(=O)N1CC2=CC=CC=C2)Cl)Cl)(C(=O)OCC)O

DOS

IR

Vibrations