Geometry & MOs

Info

ID:	343315
PubChem CID:	127266488
Reduced:	NC5H7 (4)
Stoich.:	AB5C7 (4)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	51.67
Dipole, Da:	2.52
IP(EA), eV:	-8.07(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methyl-3-nitrophenyl)-N-[(2-piperidin-1-ylpyridin-4-yl)methyl]methanamine

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)CNC2CCN(CC2)CC3=CC=CC=N3

DOS

IR

Vibrations