Geometry & MOs

Info

ID:

177567

PubChem CID:

76199574

Reduced:

O4N5C27H31 (1)

Stoich.:

A4B5C27D31 (1)

Weight, g/mol:

472.248584

ΔHf, kcal/mol:

-84.93

Dipole, Da:

5.21

IP(EA), eV:

 -9.56(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[8-(2-fluorophenyl)-5-(1-hydroxypropan-2-yl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea

Drug info:

PubChemData

Smile

CC1CN(C(=O)C2=C(N=CC(=C2)C3=CN=CN=C3)OC1CN(C)C(=O)CC4=CC=CC=C4)C(C)CO

DOS

IR

Vibrations