Geometry & MOs

Info

ID:	184024
PubChem CID:	77102320
Reduced:	NO3C11H21 (1)
Stoich.:	AB3C11D21 (1)
Weight, g/mol:	262.168128
ΔH_f, kcal/mol:	-129.69
Dipole, Da:	6.64
IP(EA), eV:	-9.2(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-ethyl-4-[ethyl(pyridin-4-ylmethyl)amino]but-2-enoate

Drug info:

PubChemData

Smile

CCC(=CCN(CC)CCOC)C(=O)O

DOS

IR

Vibrations