Geometry & MOs

Info

ID:	67993
PubChem CID:	46507563
Reduced:	BrO2N4H21C22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	302.120132
ΔH_f, kcal/mol:	19.0
Dipole, Da:	7.34
IP(EA), eV:	-8.63(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(3-methoxyphenyl)piperazin-1-yl]-1H-pyrimidine-4-thione

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NC=CN=C2OC3=CC=C(C=C3)C(=O)NC4=CC(=CC=C4)Br

DOS

IR

Vibrations