Geometry & MOs

Info

ID:	344350
PubChem CID:	127267526
Reduced:	N2O5C15H18 (1)
Stoich.:	A2B5C15D18 (1)
Weight, g/mol:	327.158292
ΔH_f, kcal/mol:	-109.33
Dipole, Da:	3.81
IP(EA), eV:	-9.34(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-methoxyethoxy)phenyl]-(2-pyrimidin-2-ylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

COCCOC1=CC=CC(=C1)C(=O)NCC2=CC(=NO2)OC

DOS

IR

Vibrations