Geometry & MOs

Info

ID:	63433
PubChem CID:	26758337
Reduced:	O3N5H19C23 (1)
Stoich.:	A3B5C19D23 (1)
Weight, g/mol:	438.145868
ΔH_f, kcal/mol:	-7.38
Dipole, Da:	7.52
IP(EA), eV:	-8.84(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC(=CC=C3)N4C(=O)C5=CC=CC=C5C4=O

DOS

IR

Vibrations