Geometry & MOs

Info

ID:	355354
PubChem CID:	127288350
Reduced:	OSN6C13H18 (1)
Stoich.:	ABC6D13E18 (1)
Weight, g/mol:	318.205576
ΔH_f, kcal/mol:	57.32
Dipole, Da:	8.52
IP(EA), eV:	-8.79(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-ethylpiperidin-3-yl)-2-[(3-methylphenyl)carbamoylamino]acetamide

Drug info:

PubChemData

Smile

CCN1CCCC(C1)NC(=O)C2=C(C=CS2)N3C=NN=N3

DOS

IR

Vibrations