Geometry & MOs

Info

ID:	271805
PubChem CID:	103692891
Reduced:	ON3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	355.08954
ΔH_f, kcal/mol:	13.8
Dipole, Da:	6.08
IP(EA), eV:	-8.9(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-4-nitrophenyl)-1-(2-methylpropyl)piperidin-4-amine

Drug info:

PubChemData

Smile

CC(C)COCCCNC1=C(C=NC2=CC=CC=C21)C#N

DOS

IR

Vibrations