Geometry & MOs

Info

ID:	180310
PubChem CID:	76613304
Reduced:	BrClN2O3C20H21 (1)
Stoich.:	ABC2D3E20F21 (1)
Weight, g/mol:	382.189257
ΔH_f, kcal/mol:	-60.16
Dipole, Da:	4.96
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.767182
Charge, e:	0

Chem-info

IUPAC name:

9H-fluoren-9-ylmethyl N-[1-(methoxyamino)-3-methyl-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1)C(=NC(CC2=CC=C(C=C2)Br)C(=O)NC)[O-])Cl

DOS

IR

Vibrations