Geometry & MOs

Info

ID:	365147
PubChem CID:	127316951
Reduced:	N7C22H27 (1)
Stoich.:	A7B22C27 (1)
Weight, g/mol:	398.223038
ΔH_f, kcal/mol:	92.53
Dipole, Da:	4.09
IP(EA), eV:	-8.47(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-3-[1-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]urea

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=CC(=NC=N2)N3CCC(CC3)C4=NC(=NN4)C5=CC=CC=C5

DOS

IR

Vibrations