Geometry & MOs

Info

ID:	383049
PubChem CID:	134974548
Reduced:	NOYC15H22 (1)
Stoich.:	ABCD15E22 (1)
Weight, g/mol:	427.220617
ΔH_f, kcal/mol:	-14.03
Dipole, Da:	6.27
IP(EA), eV:	-4.86(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-methoxy-3-[4-(2-methoxyethoxymethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Drug info:

PubChemData

Smile

CC(CNC1CCCCC1)(C2=CC=CC=[C-]2)O.[Y]

DOS

IR

Vibrations