Geometry & MOs

Info

ID:	314847
PubChem CID:	126623684
Reduced:	O3N4C22H22 (1)
Stoich.:	A3B4C22D22 (1)
Weight, g/mol:	339.06814
ΔH_f, kcal/mol:	-30.66
Dipole, Da:	5.28
IP(EA), eV:	-8.7(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(3-bromopropoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Drug info:

PubChemData

Smile

CCCCOC(=O)CN1C2=C(C=C(C=C2)C3=NC4=CC=CC=C4N3)C(=N1)C(=O)C

DOS

IR

Vibrations