Geometry & MOs

Info

ID:	149665
PubChem CID:	53789339
Reduced:	SN2O4C9H10 (1)
Stoich.:	AB2C4D9E10 (1)
Weight, g/mol:	528.01947
ΔH_f, kcal/mol:	-58.05
Dipole, Da:	3.62
IP(EA), eV:	-9.47(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,4-dibromo-6-methoxy-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl] N,N-dimethylcarbamate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)[N+](=O)[O-])OC(=O)[C@H](CS)N

DOS

IR

Vibrations