Geometry & MOs

Info

ID:	200087
PubChem CID:	79345530
Reduced:	ClN2O3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	186.136828
ΔH_f, kcal/mol:	-112.34
Dipole, Da:	4.0
IP(EA), eV:	-8.93(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(aminomethyl)cyclobutyl] N-propylcarbamate

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2Cl)C(=O)OCCO

DOS

IR

Vibrations