Geometry & MOs

Info

ID:	292043
PubChem CID:	114150074
Reduced:	O2N3C13H21 (1)
Stoich.:	A2B3C13D21 (1)
Weight, g/mol:	244.178693
ΔH_f, kcal/mol:	-78.47
Dipole, Da:	2.73
IP(EA), eV:	-9.86(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-(4-hydroxy-2,2-dimethylbutyl)-3-methyloxolane-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CCO)CNC(=O)C1=CC(=NC=C1)CN

DOS

IR

Vibrations