Geometry & MOs

Info

ID:	371949
PubChem CID:	131281994
Reduced:	BrClOC8H8 (1)
Stoich.:	ABCD8E8 (1)
Weight, g/mol:	165.036068
ΔH_f, kcal/mol:	-41.38
Dipole, Da:	3.51
IP(EA), eV:	-9.15(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-aminocyclopropyl)-1,3-thiazole-5-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1CCl)Br)O

DOS

IR

Vibrations