Geometry & MOs

Info

ID:	357912
PubChem CID:	127295412
Reduced:	N3O3C22H33 (1)
Stoich.:	A3B3C22D33 (1)
Weight, g/mol:	396.252526
ΔH_f, kcal/mol:	-127.8
Dipole, Da:	5.49
IP(EA), eV:	-8.3(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)OC)N2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations