Geometry & MOs

Info

ID:	85116
PubChem CID:	49871884
Reduced:	N5C17H17 (1)
Stoich.:	A5B17C17 (1)
Weight, g/mol:	567.230013
ΔH_f, kcal/mol:	103.52
Dipole, Da:	3.59
IP(EA), eV:	-8.98(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[6-[4-chloro-3-[3-(dimethylamino)propoxy]-5-fluorophenyl]-5-(2-methylphenyl)pyridine-2-carbonyl]amino]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C2=CC=CC=C2)C3=C(N=C(N=N3)N)N

DOS

IR

Vibrations