Geometry & MOs

Info

ID:	204759
PubChem CID:	80004021
Reduced:	O2S2N3C14H17 (1)
Stoich.:	A2B2C3D14E17 (1)
Weight, g/mol:	356.07356
ΔH_f, kcal/mol:	-40.07
Dipole, Da:	4.22
IP(EA), eV:	-8.45(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-N-[2-(4-bromophenoxy)ethyl]-N-methyloxolane-2-carboxamide

Drug info:

PubChemData

Smile

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCC(O3)CN

DOS

IR

Vibrations