Geometry & MOs

Info

ID:	390542
PubChem CID:	134999639
Reduced:	NO5C27H29 (1)
Stoich.:	AB5C27D29 (1)
Weight, g/mol:	247.103085
ΔH_f, kcal/mol:	-128.6
Dipole, Da:	7.31
IP(EA), eV:	-9.28(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropan-1-ol

Drug info:

PubChemData

Smile

CC[N+](=C(C1=CC=C(C=C1)C)C(=O)OCC)C2=CC=C(C=C2)OC.C1=CC=C(C=C1)C(=O)[O-]

DOS

IR

Vibrations