Geometry & MOs

Info

ID:	78388
PubChem CID:	49689355
Reduced:	N2O2C11H14 (2)
Stoich.:	A2B2C11D14 (2)
Weight, g/mol:	357.160103
ΔH_f, kcal/mol:	-110.2
Dipole, Da:	6.92
IP(EA), eV:	-8.77(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluorophenyl)-3-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]methyl]urea

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)NCC2CCN(CC2)C(=O)C3=NC=CN=C3)OCC

DOS

IR

Vibrations