Geometry & MOs

Info

ID:	126709
PubChem CID:	50974455
Reduced:	O2N4H22C23 (1)
Stoich.:	A2B4C22D23 (1)
Weight, g/mol:	275.199762
ΔH_f, kcal/mol:	30.99
Dipole, Da:	4.25
IP(EA), eV:	-8.78(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-propyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

COC(=O)CCN1C=NC(=C1C2=CC=CC(=C2)CN3C=CC=N3)C4=CC=CC=C4

DOS

IR

Vibrations