Geometry & MOs

Info

ID:	213168
PubChem CID:	81063112
Reduced:	N2O4C15H24 (1)
Stoich.:	A2B4C15D24 (1)
Weight, g/mol:	291.147058
ΔH_f, kcal/mol:	-184.4
Dipole, Da:	4.16
IP(EA), eV:	-9.3(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1CCN(CC1)C(=O)C2CC2

DOS

IR

Vibrations