Geometry & MOs

Info

ID:	62972
PubChem CID:	26737856
Reduced:	SO2N3C28H29 (1)
Stoich.:	AB2C3D28E29 (1)
Weight, g/mol:	363.090518
ΔH_f, kcal/mol:	17.46
Dipole, Da:	4.99
IP(EA), eV:	-8.67(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,6-dichloropyridin-2-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CC/C(=C/C3=CC=CO3)/C4=NC5=CC=CC=C5S4)C

DOS

IR

Vibrations