Geometry & MOs

Info

ID:	169650
PubChem CID:	75131733
Reduced:	ON3C12H18 (2)
Stoich.:	AB3C12D18 (2)
Weight, g/mol:	472.29506
ΔH_f, kcal/mol:	-29.44
Dipole, Da:	4.49
IP(EA), eV:	-8.71(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-indol-3-yl)-N-[[3-methyl-4-[[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=CC(C(CC1CC2=NN=C(O2)C3=CN=CN3C)C(C)C)CN4CCN(CC4)C(=O)C

DOS

IR

Vibrations