Geometry & MOs

Info

ID:	28802
PubChem CID:	829738
Reduced:	N2O5H16C17 (1)
Stoich.:	A2B5C16D17 (1)
Weight, g/mol:	302.093439
ΔH_f, kcal/mol:	-146.72
Dipole, Da:	5.83
IP(EA), eV:	-8.67(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chlorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=O)C3=CC(=C(C=C3NC2=O)OC)OC

DOS

IR

Vibrations