Geometry & MOs

Info

ID:	183476
PubChem CID:	77027648
Reduced:	ON3C11H21 (1)
Stoich.:	AB3C11D21 (1)
Weight, g/mol:	391.98063
ΔH_f, kcal/mol:	-11.91
Dipole, Da:	2.3
IP(EA), eV:	-8.97(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[amino(nitroso)methylidene]piperidin-3-yl]methyl]-4-bromo-2,6-dichloroaniline

Drug info:

PubChemData

Smile

CC(C(=NO)N)NCC1CC2CCC1C2

DOS

IR

Vibrations