Geometry & MOs

Info

ID:	305510
PubChem CID:	124958057
Reduced:	O2N5C17H25 (1)
Stoich.:	A2B5C17D25 (1)
Weight, g/mol:	303.140533
ΔH_f, kcal/mol:	-46.6
Dipole, Da:	8.83
IP(EA), eV:	-9.35(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3R)-3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]methyl]-1,3-thiazole

Drug info:

PubChemData

Smile

CCCCC1=NC=C(N1)CN2CCOC[C@H]2C3=CC(=O)N=C(N3)C

DOS

IR

Vibrations