Geometry & MOs

Info

ID:	173267
PubChem CID:	75612601
Reduced:	NOC8H11 (3)
Stoich.:	ABC8D11 (3)
Weight, g/mol:	334.211724
ΔH_f, kcal/mol:	-133.52
Dipole, Da:	8.79
IP(EA), eV:	-9.04(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[6-(2-methylmorpholin-4-yl)pyridin-3-yl]methyl]-3-(pyrazolidin-3-ylmethyl)urea

Drug info:

PubChemData

Smile

C1CCC(C(C1)NC(=O)C2CCN(CC2)C(=O)C3CCC3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations