Geometry & MOs

Info

ID:	318186
PubChem CID:	126649450
Reduced:	FNSO3H16C20 (1)
Stoich.:	ABCD3E16F20 (1)
Weight, g/mol:	194.94504
ΔH_f, kcal/mol:	-110.07
Dipole, Da:	5.5
IP(EA), eV:	-9.38(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromoethynyl)cyclopropan-1-amine;hydrochloride

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1=C(C=C(C=C1)C2=C3C=C(SC3=CC(=C2)C#N)F)O

DOS

IR

Vibrations