Geometry & MOs

Info

ID:	70214
PubChem CID:	47211711
Reduced:	ClNSO2C14H14 (1)
Stoich.:	ABCD2E14F14 (1)
Weight, g/mol:	277.19026
ΔH_f, kcal/mol:	-58.56
Dipole, Da:	4.02
IP(EA), eV:	-9.21(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl(pyrazin-2-yl)amino]-N-(2-piperidin-1-ylethyl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)CNC(=O)C2=CC(=C(C=C2)O)Cl

DOS

IR

Vibrations