Geometry & MOs

Info

ID:	394294
PubChem CID:	135022690
Reduced:	BrN6C20H31 (1)
Stoich.:	AB6C20D31 (1)
Weight, g/mol:	450.272987
ΔH_f, kcal/mol:	61.1
Dipole, Da:	3.67
IP(EA), eV:	-8.71(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3,4-bis[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]propanoate

Drug info:

PubChemData

Smile

CN1CCN(C1=NCCC2=C(C=C(C=C2)Br)CCN=C3N(CCN3C)C)C

DOS

IR

Vibrations