Geometry & MOs

Info

ID:	293038
PubChem CID:	117370815
Reduced:	O2N3C13H17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	247.0667
ΔH_f, kcal/mol:	-21.93
Dipole, Da:	7.96
IP(EA), eV:	-7.41(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-methyl-1,3-benzothiazol-6-yl)cyclopropyl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=O)/C(=C\2/C=C(N(N2)C)N)/C=C1OC)C

DOS

IR

Vibrations