Geometry & MOs

Info

ID:	348013
PubChem CID:	127273075
Reduced:	O2N5C17H29 (1)
Stoich.:	A2B5C17D29 (1)
Weight, g/mol:	334.236876
ΔH_f, kcal/mol:	-53.33
Dipole, Da:	4.08
IP(EA), eV:	-8.99(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(O1)CN2CCCN(CC2)CC(=O)N3CCCC3

DOS

IR

Vibrations