Geometry & MOs

Info

ID:	263277
PubChem CID:	103351823
Reduced:	N3C17H25 (1)
Stoich.:	A3B17C25 (1)
Weight, g/mol:	277.179027
ΔH_f, kcal/mol:	19.97
Dipole, Da:	2.11
IP(EA), eV:	-8.33(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-ethyl-1-[(4-nitrophenyl)methyl]piperidin-2-yl]methanamine

Drug info:

PubChemData

Smile

CCC1CCN(C(C1)CN)CC2=CNC3=CC=CC=C32

DOS

IR

Vibrations