Geometry & MOs

Info

ID:	367364
PubChem CID:	127324316
Reduced:	ON8C20H30 (1)
Stoich.:	AB8C20D30 (1)
Weight, g/mol:	358.24811
ΔH_f, kcal/mol:	2.86
Dipole, Da:	2.67
IP(EA), eV:	-9.0(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-cyclopropylpyrrolidin-3-yl)-3-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]urea

Drug info:

PubChemData

Smile

CCC1=CC(=NC=N1)N2CCCC(C2)NC(=O)NC3CCC4=NC(=NN4C3)CC

DOS

IR

Vibrations