Geometry & MOs

Info

ID:

49798

PubChem CID:

11533839

Reduced:

O2N7C30H39 (1)

Stoich.:

A2B7C30D39 (1)

Weight, g/mol:

530.232934

ΔHf, kcal/mol:

-22.67

Dipole, Da:

2.46

IP(EA), eV:

 -8.55(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(3R,3aR)-8-fluoro-3-[3-[4-(furan-2-carbonyl)piperazin-1-yl]propyl]-3-phenyl-3a,4-dihydropyrazolo[5,1-c][1,4]benzoxazin-2-yl]ethanone

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(C(=C1)C)N2CCN(CC2)C3=NC(=NC(=C3)C4=CC(=NC=C4)C(C)C)N5CCCC5C

DOS

IR

Vibrations