Geometry & MOs

Info

ID:	223468
PubChem CID:	85335086
Reduced:	SN3O3H15C20 (1)
Stoich.:	AB3C3D15E20 (1)
Weight, g/mol:	377.246713
ΔH_f, kcal/mol:	78.17
Dipole, Da:	7.39
IP(EA), eV:	-9.56(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-benzylpiperidin-1-yl)butyl]-3-pyridin-3-ylprop-2-enamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CC2=NC(=O)C(=CC21)C3=CSC(=N3)C4=CC=NC=C4

DOS

IR

Vibrations