Geometry & MOs

Info

ID:	130451
PubChem CID:	51090882
Reduced:	O3N4H16C18 (1)
Stoich.:	A3B4C16D18 (1)
Weight, g/mol:	307.171834
ΔH_f, kcal/mol:	47.18
Dipole, Da:	6.17
IP(EA), eV:	-9.59(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-propylpiperidin-4-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide

Drug info:

PubChemData

Smile

C1CC1N(CC2=CC=NC=C2)C(=O)C3=CC4=C(N3)C(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations