Geometry & MOs

Info

ID:	159021
PubChem CID:	57244561
Reduced:	N3O3C26H29 (1)
Stoich.:	A3B3C26D29 (1)
Weight, g/mol:	218.141913
ΔH_f, kcal/mol:	-26.19
Dipole, Da:	1.46
IP(EA), eV:	-8.99(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(piperidin-3-ylmethyl)benzamide

Drug info:

PubChemData

Smile

COCCCCCCCCOC1=CC2=C(C=C1)C=C(C=C2)C(=O)N3C4=CC=CC=C4N=N3

DOS

IR

Vibrations