Geometry & MOs

Info

ID:	252847
PubChem CID:	103114571
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	249.147727
ΔH_f, kcal/mol:	-59.22
Dipole, Da:	3.91
IP(EA), eV:	-9.55(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methyl-3-nitrophenyl)methyl]piperidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(N=NN1CC(C)OC)C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations