Geometry & MOs

Info

ID:	348012
PubChem CID:	127273074
Reduced:	ON6C18H28 (1)
Stoich.:	AB6C18D28 (1)
Weight, g/mol:	335.232125
ΔH_f, kcal/mol:	13.32
Dipole, Da:	7.55
IP(EA), eV:	-9.07(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(O1)CN2CCCC(C2)C3=NN=C4N3CCCCC4

DOS

IR

Vibrations