Geometry & MOs

Info

ID:	204810
PubChem CID:	80011305
Reduced:	NSO4C13H17 (1)
Stoich.:	ABC4D13E17 (1)
Weight, g/mol:	230.163043
ΔH_f, kcal/mol:	-169.45
Dipole, Da:	4.31
IP(EA), eV:	-9.29(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-N-(2-hydroxy-2-methylbutyl)oxolane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(=O)NCC2CCC(O2)C(=O)O)C

DOS

IR

Vibrations