Geometry & MOs

Info

ID:	74386
PubChem CID:	48421802
Reduced:	N2O5C20H24 (1)
Stoich.:	A2B5C20D24 (1)
Weight, g/mol:	290.174276
ΔH_f, kcal/mol:	-166.81
Dipole, Da:	2.36
IP(EA), eV:	-8.43(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CNC(=O)C(CC2=CC=CC=C2)NC(=O)OC)OC

DOS

IR

Vibrations