Geometry & MOs

Info

ID:	447216
PubChem CID:	135281242
Reduced:	BrClO2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	463.177503
ΔH_f, kcal/mol:	-65.7
Dipole, Da:	5.1
IP(EA), eV:	-9.04(-1.09)
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-(pyridin-4-ylmethyl)pyrrolidin-3-amine

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1[C@@H](C=O)Br)Cl)OC

DOS

IR

Vibrations