Geometry & MOs

Info

ID:	261614
PubChem CID:	103242244
Reduced:	NO4C15H21 (1)
Stoich.:	AB4C15D21 (1)
Weight, g/mol:	213.136493
ΔH_f, kcal/mol:	-154.93
Dipole, Da:	6.32
IP(EA), eV:	-9.72(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(oxan-3-ylmethylamino)but-2-enoic acid

Drug info:

PubChemData

Smile

C1CC(COC1)CNCCOC2=CC=CC=C2C(=O)O

DOS

IR

Vibrations