Geometry & MOs

Info

ID:	367302
PubChem CID:	127324081
Reduced:	ON8C18H26 (1)
Stoich.:	AB8C18D26 (1)
Weight, g/mol:	330.216809
ΔH_f, kcal/mol:	21.96
Dipole, Da:	1.01
IP(EA), eV:	-9.0(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-cyclopropylpyrrolidin-3-yl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)NC3CCCN(C3)C4=NC=CC=N4

DOS

IR

Vibrations