Geometry & MOs

Info

ID:	427853
PubChem CID:	135164447
Reduced:	O3N4C28H32 (1)
Stoich.:	A3B4C28D32 (1)
Weight, g/mol:	387.225702
ΔH_f, kcal/mol:	-55.53
Dipole, Da:	3.3
IP(EA), eV:	-8.81(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxoheptan-2-yl]propanedioate

Drug info:

PubChemData

Smile

CC(C)(CC(=O)N1CCC(=CC1)C2=NC3=C(C=C2)N=C4N3C5(CCC4)COC6=CC=CC=C56)OC

DOS

IR

Vibrations