Geometry & MOs

Info

ID:	312550
PubChem CID:	126606445
Reduced:	O3C22H24 (1)
Stoich.:	A3B22C24 (1)
Weight, g/mol:	186.100442
ΔH_f, kcal/mol:	-103.68
Dipole, Da:	3.58
IP(EA), eV:	-9.06(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3S)-3,4-dihydroxyoxan-2-yl]methylamino]acetonitrile

Drug info:

PubChemData

Smile

CCCCCC1=CC(=C(C=C1)C2=CC3=C(C=C(C=C3)O)OC2=O)CC

DOS

IR

Vibrations