Geometry & MOs

Info

ID:

177546

PubChem CID:

76199432

Reduced:

FN4O4C25H31 (1)

Stoich.:

AB4C4D25E31 (1)

Weight, g/mol:

465.262757

ΔHf, kcal/mol:

-162.13

Dipole, Da:

7.21

IP(EA), eV:

 -8.84(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-cyclopropyl-N-[[5-(1-hydroxypropan-2-yl)-3-methyl-8-(2-methylphenyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylacetamide

Drug info:

PubChemData

Smile

CC=CC1=CC2=C(N=C1)OC(C(CN(C2=O)C(C)CO)C)CN(C)C(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations