Geometry & MOs

Info

ID:	60505
PubChem CID:	26697106
Reduced:	O2N4C25H28 (1)
Stoich.:	A2B4C25D28 (1)
Weight, g/mol:	377.21888
ΔH_f, kcal/mol:	13.38
Dipole, Da:	5.49
IP(EA), eV:	-8.71(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)NCCN3CCOCC3)C4=CC=CC=C4

DOS

IR

Vibrations