Geometry & MOs

Info

ID:	435860
PubChem CID:	135192596
Reduced:	OPC20H36 (1)
Stoich.:	ABC20D36 (1)
Weight, g/mol:	244.10342
ΔH_f, kcal/mol:	-95.46
Dipole, Da:	1.73
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.981199
Charge, e:	0

Chem-info

IUPAC name:

3-(2-cyclobutyl-1,3-thiazol-5-yl)-5-methylaniline

Drug info:

PubChemData

Smile

CC(C)C(C)(O)[P+]1=CC=C(C=C1)C(CC(C)(C)C)C(C)(C)C

DOS

IR

Vibrations