Geometry & MOs

Info

ID:	360009
PubChem CID:	127300155
Reduced:	FO2N4C20H27 (1)
Stoich.:	AB2C4D20E27 (1)
Weight, g/mol:	375.207053
ΔH_f, kcal/mol:	-100.95
Dipole, Da:	3.5
IP(EA), eV:	-8.78(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-3-[(4-methylmorpholin-2-yl)methyl]urea

Drug info:

PubChemData

Smile

C1CCC(C1)OCCNC(=O)NC2CCCN(C2)C3=C(C=C(C=C3)C#N)F

DOS

IR

Vibrations