Geometry & MOs

Info

ID:	376639
PubChem CID:	134222660
Reduced:	O3N5C30H35 (1)
Stoich.:	A3B5C30D35 (1)
Weight, g/mol:	542.305705
ΔH_f, kcal/mol:	-49.1
Dipole, Da:	0.61
IP(EA), eV:	-9.07(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-fluoro-3-methylcyclobutyl)phenyl]-5-phenylpyridin-3-yl]acetamide

Drug info:

PubChemData

Smile

CN(C1CCC(CC1)CC(=O)NC2=NC=C(C(=C2)C3=CC=CC=N3)C4=CC=C(C=C4)C5(CC5)N)C(=O)OC

DOS

IR

Vibrations