Geometry & MOs

Info

ID:	447258
PubChem CID:	135281526
Reduced:	NCl2F2O6C33H33 (1)
Stoich.:	AB2C2D6E33F33 (1)
Weight, g/mol:	435.134969
ΔH_f, kcal/mol:	-323.9
Dipole, Da:	9.12
IP(EA), eV:	-9.56(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]phenyl]propan-1-one

Drug info:

PubChemData

Smile

CC[C@@](C1=CC2=C(C(=C1)F)[C@@](N(C2=O)[C@@H](CC(=O)O)C3=CC=C(C=C3)Cl)(C4=CC=C(C=C4)Cl)OCC)(C5(CCOCC5)F)O

DOS

IR

Vibrations