Geometry & MOs

Info

ID:	63359
PubChem CID:	26758160
Reduced:	N2O5H20C21 (1)
Stoich.:	A2B5C20D21 (1)
Weight, g/mol:	404.161518
ΔH_f, kcal/mol:	-155.4
Dipole, Da:	3.28
IP(EA), eV:	-9.28(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCCC1=CC=CC=C1)OC(=O)CN2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations