Geometry & MOs

Info

ID:	1137
PubChem CID:	3841
Reduced:	NO3C6H7 (1)
Stoich.:	AB3C6D7 (1)
Weight, g/mol:	141.042593
ΔH_f, kcal/mol:	-80.25
Dipole, Da:	5.74
IP(EA), eV:	-9.39(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-5-hydroxypyran-4-one

Drug info:

PubChemData

Smile

C1=C(OC=C(C1=O)O)CN

DOS

IR

Vibrations