Geometry & MOs

Info

ID:	184022
PubChem CID:	77102318
Reduced:	NO3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	255.183444
ΔH_f, kcal/mol:	-100.97
Dipole, Da:	3.51
IP(EA), eV:	-9.05(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-ethyl-4-(5-ethyl-2-methylmorpholin-4-yl)but-2-enoate

Drug info:

PubChemData

Smile

CCC(=CCN(C)CC1=C(OC=C1)C)C(=O)O

DOS

IR

Vibrations