Geometry & MOs

Info

ID:

174223

PubChem CID:

75743318

Reduced:

ClFO2N3C18H22 (1)

Stoich.:

ABC2D3E18F22 (1)

Weight, g/mol:

471.09194

ΔHf, kcal/mol:

-63.67

Dipole, Da:

3.57

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.880456

Charge, e:

 1

Chem-info

IUPAC name:

2-[(3-bromophenyl)methylidene]-8-(2-morpholin-4-ylethyl)-8,9-dihydro-7H-furo[2,3-f][1,3]benzoxazin-8-ium-3-one

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=C(C=C1)Cl)F)N2CC[NH+](CC2)CC3=CC=CO3

DOS

IR

Vibrations