Geometry & MOs

Info

ID:	190316
PubChem CID:	77984475
Reduced:	ON2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	430.167477
ΔH_f, kcal/mol:	-13.46
Dipole, Da:	2.17
IP(EA), eV:	-9.22(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-phenylcyclopropanecarbonyl)-4-[(pyrimidin-2-ylamino)methyl]piperidin-3-yl] methanesulfonate

Drug info:

PubChemData

Smile

C1CN(CC(C1CNC2=NC=CC=N2)O)C(=O)C3CC3C4=CC=CC=C4

DOS

IR

Vibrations