Geometry & MOs

Info

ID:	261610
PubChem CID:	103242188
Reduced:	NO5C11H21 (1)
Stoich.:	AB5C11D21 (1)
Weight, g/mol:	201.100108
ΔH_f, kcal/mol:	-237.03
Dipole, Da:	1.56
IP(EA), eV:	-9.23(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(1,4-dioxan-2-ylmethylamino)but-2-enoic acid

Drug info:

PubChemData

Smile

CCOC(=O)CC(CNCC1COCCO1)O

DOS

IR

Vibrations