Geometry & MOs

Info

ID:	365148
PubChem CID:	127316952
Reduced:	FON6C21H27 (1)
Stoich.:	ABC6D21E27 (1)
Weight, g/mol:	384.207388
ΔH_f, kcal/mol:	-47.44
Dipole, Da:	6.83
IP(EA), eV:	-8.81(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-3-[1-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-3-yl]urea

Drug info:

PubChemData

Smile

CC1CCCN(C1)C2=CC(=NC=N2)N3CCC(C3)NC(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations