Geometry & MOs

Info

ID:	62250
PubChem CID:	26718589
Reduced:	N3O6C20H21 (1)
Stoich.:	A3B6C20D21 (1)
Weight, g/mol:	421.182398
ΔH_f, kcal/mol:	-96.73
Dipole, Da:	8.52
IP(EA), eV:	-8.1(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCO4

DOS

IR

Vibrations