Geometry & MOs

Info

ID:

176822

PubChem CID:

76102780

Reduced:

BrOF2N4H8C12 (1)

Stoich.:

ABC2D4E8F12 (1)

Weight, g/mol:

337.116152

ΔHf, kcal/mol:

-15.4

Dipole, Da:

0.9

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.936181

Charge, e:

 0

Chem-info

IUPAC name:

2-(3,5-dimethoxyphenyl)propan-2-yl N-(2,5-dioxooxolan-3-yl)carbamate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Br)F)[N+]2=C3C=NNN3C(=CC2=O)F

DOS

IR

Vibrations