Geometry & MOs

Info

ID:	271340
PubChem CID:	103654980
Reduced:	O2N3C12H21 (1)
Stoich.:	A2B3C12D21 (1)
Weight, g/mol:	184.121178
ΔH_f, kcal/mol:	-75.27
Dipole, Da:	2.75
IP(EA), eV:	-9.25(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(hydroxymethyl)oxan-4-yl]amino]propanenitrile

Drug info:

PubChemData

Smile

CCN1C=CN=C1CNC2(CCOCC2)CO

DOS

IR

Vibrations