Geometry & MOs

Info

ID:	416110
PubChem CID:	135089118
Reduced:	SO2N4C17H20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	332.196074
ΔH_f, kcal/mol:	-9.42
Dipole, Da:	6.28
IP(EA), eV:	-9.35(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CC(OC1)C2=NN=C(S2)NC(=O)CN3CCC4=CC=CC=C4C3

DOS

IR

Vibrations