Geometry & MOs

Info

ID:	367211
PubChem CID:	127323983
Reduced:	O2N4C15H22 (1)
Stoich.:	A2B4C15D22 (1)
Weight, g/mol:	344.188212
ΔH_f, kcal/mol:	-42.13
Dipole, Da:	2.56
IP(EA), eV:	-9.05(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-cyclopropylpyrrolidin-3-yl)-3-(1-ethylsulfonylpiperidin-4-yl)urea

Drug info:

PubChemData

Smile

COC1=NC=CC(=C1)CNC(=O)NC2CCN(C2)C3CC3

DOS

IR

Vibrations