Geometry & MOs

Info

ID:	169651
PubChem CID:	75131734
Reduced:	ON6C28H36 (1)
Stoich.:	AB6C28D36 (1)
Weight, g/mol:	397.247775
ΔH_f, kcal/mol:	56.39
Dipole, Da:	3.5
IP(EA), eV:	-8.33(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methylamino]pyridin-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(C(CC1CC2=NN=C(O2)C3=CN=CN3C)C(C)C)CNCCC4=CNC5=CC=CC=C54

DOS

IR

Vibrations