Geometry & MOs

Info

ID:	368990
PubChem CID:	127331094
Reduced:	ON3C9H15 (2)
Stoich.:	AB3C9D15 (2)
Weight, g/mol:	331.161995
ΔH_f, kcal/mol:	-63.86
Dipole, Da:	3.21
IP(EA), eV:	-8.38(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1-(pyrazin-2-ylmethyl)-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]urea

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(C)CNC(=O)NC2CCN(C2=O)C3=CN(N=C3)C

DOS

IR

Vibrations