Geometry & MOs

Info

ID:	49861
PubChem CID:	11533994
Reduced:	OCl2F2N3C29H29 (1)
Stoich.:	AB2C2D3E29F29 (1)
Weight, g/mol:	544.272593
ΔH_f, kcal/mol:	-70.3
Dipole, Da:	3.54
IP(EA), eV:	-8.33(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S,7S,8S)-3-[2-(cyclohexen-1-yl)ethynyl]-6,7,8-tris(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

Drug info:

PubChemData

Smile

CC(C)(C)N1CCC(CC1)C2=CC3C(C=CC(=O)N3C4=C(C=CC=C4Cl)Cl)C(=N2)C5=C(C=C(C=C5)F)F

DOS

IR

Vibrations