Geometry & MOs

Info

ID:	314209
PubChem CID:	126620926
Reduced:	N3O4C20H27 (1)
Stoich.:	A3B4C20D27 (1)
Weight, g/mol:	329.267842
ΔH_f, kcal/mol:	-79.41
Dipole, Da:	4.38
IP(EA), eV:	-8.34(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-1-[2-(butylamino)ethylamino]-4-methyl-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CCCCN=NC2=CC(=C(C(=C2)OC)OC)OC)N

DOS

IR

Vibrations