Geometry & MOs

Info

ID:	373527
PubChem CID:	131316517
Reduced:	ClNSO3C5H10 (1)
Stoich.:	ABCD3E5F10 (1)
Weight, g/mol:	271.03719
ΔH_f, kcal/mol:	-132.35
Dipole, Da:	4.43
IP(EA), eV:	-9.82(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-4-fluoro-5-propan-2-ylphenyl)prop-2-en-1-amine

Drug info:

PubChemData

Smile

C1CC(OC1CN)S(=O)(=O)Cl

DOS

IR

Vibrations