Geometry & MOs

Info

ID:	228003
PubChem CID:	87563213
Reduced:	BrO2N4H5C7 (1)
Stoich.:	AB2C4D5E7 (1)
Weight, g/mol:	342.149891
ΔH_f, kcal/mol:	-29.11
Dipole, Da:	4.0
IP(EA), eV:	-9.78(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3S,4S)-4-benzyl-3-(4-chlorophenyl)piperidin-4-yl]ethylidene]hydroxylamine

Drug info:

PubChemData

Smile

C1=C2C(=CN=C1Br)NC(=N2)NC(=O)O

DOS

IR

Vibrations