Geometry & MOs

Info

ID:	177542
PubChem CID:	76199300
Reduced:	ON3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	480.23727
ΔH_f, kcal/mol:	14.12
Dipole, Da:	9.55
IP(EA), eV:	-9.09(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[8-(3-hydroxybut-1-ynyl)-5-(1-hydroxypropan-2-yl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide

Drug info:

PubChemData

Smile

CC1=C2C(=CN1C)CCC3C2=NC(=O)N=C3

DOS

IR

Vibrations