Geometry & MOs

Info

ID:	447249
PubChem CID:	135281462
Reduced:	NCl2O4H27C29 (1)
Stoich.:	AB2C4D27E29 (1)
Weight, g/mol:	476.197904
ΔH_f, kcal/mol:	-100.09
Dipole, Da:	6.8
IP(EA), eV:	-9.25(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-[(4-methylphenyl)methyl]pyrrolidin-3-amine

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)Cl)N2C(=O)C3=C([C@@]2(C4=CC=C(C=C4)Cl)OCC5(CC5)CO)C=CC(=C3)C(=O)C

DOS

IR

Vibrations