Geometry & MOs

Info

ID:	367314
PubChem CID:	127324093
Reduced:	OSN6C13H18 (1)
Stoich.:	ABC6D13E18 (1)
Weight, g/mol:	343.237211
ΔH_f, kcal/mol:	21.36
Dipole, Da:	3.45
IP(EA), eV:	-9.54(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-cyclopropylpyrrolidin-3-yl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)NCC3=NC=CS3

DOS

IR

Vibrations