Geometry & MOs

Info

ID:

194079

PubChem CID:

78478721

Reduced:

SN3C21H34 (1)

Stoich.:

AB3C21D34 (1)

Weight, g/mol:

418.05887

ΔHf, kcal/mol:

10.47

Dipole, Da:

6.12

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.752758

Charge, e:

 1

Chem-info

IUPAC name:

2-(5-bromothiophen-2-yl)-1'-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidin-1-ium]

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=S)NC2CC3CCCC(C2)[NH+]3CC(C)C

DOS

IR

Vibrations