Geometry & MOs

Info

ID:	157017
PubChem CID:	56412718
Reduced:	FO3N6C21H21 (1)
Stoich.:	AB3C6D21E21 (1)
Weight, g/mol:	427.11067
ΔH_f, kcal/mol:	5.89
Dipole, Da:	4.07
IP(EA), eV:	-9.12(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[1-(4-bromo-2-nitrophenyl)piperidin-3-yl]methyl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CC1=C2C(=NN(C(=O)C2=NO1)CN3CCCC(C3)C4=NC(=NO4)C5=CC(=CC=C5)F)C

DOS

IR

Vibrations