Geometry & MOs

Info

ID:	65327
PubChem CID:	29214667
Reduced:	ClN2O2C18H21 (1)
Stoich.:	AB2C2D18E21 (1)
Weight, g/mol:	391.192963
ΔH_f, kcal/mol:	-29.57
Dipole, Da:	2.12
IP(EA), eV:	-9.41(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=C1)C(=O)N2CCC[C@@H](C2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations