Geometry & MOs

Info

ID:	183818
PubChem CID:	77073830
Reduced:	N2O2C13H18 (1)
Stoich.:	A2B2C13D18 (1)
Weight, g/mol:	227.152144
ΔH_f, kcal/mol:	-66.78
Dipole, Da:	5.28
IP(EA), eV:	-9.43(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-(2,2,6-trimethylmorpholin-4-yl)but-2-enoic acid

Drug info:

PubChemData

Smile

CC1CC(=O)NC(N1)C2=CC=CC=C2COC

DOS

IR

Vibrations