Geometry & MOs

Info

ID:	217129
PubChem CID:	85087300
Reduced:	BrO6C12H15 (1)
Stoich.:	AB6C12D15 (1)
Weight, g/mol:	342.101417
ΔH_f, kcal/mol:	-268.5
Dipole, Da:	5.45
IP(EA), eV:	-10.73(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-4-yl)-3-[(3,4-dichlorophenyl)methyl]urea

Drug info:

PubChemData

Smile

CC(=O)OC1CCC2C(C1Br)OC(=O)C2OC(=O)C

DOS

IR

Vibrations