Geometry & MOs

Info

ID:	262247
PubChem CID:	103279657
Reduced:	NSO3C13H25 (1)
Stoich.:	ABC3D13E25 (1)
Weight, g/mol:	251.163377
ΔH_f, kcal/mol:	-155.95
Dipole, Da:	5.16
IP(EA), eV:	-8.88(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-ethoxycyclobutyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CCOC1CC(C1)CC(=O)NCCSCCCO

DOS

IR

Vibrations