Geometry & MOs

Info

ID:	371658
PubChem CID:	131270182
Reduced:	NOSCl2H9C11 (1)
Stoich.:	ABCD2E9F11 (1)
Weight, g/mol:	247.033083
ΔH_f, kcal/mol:	-12.45
Dipole, Da:	3.71
IP(EA), eV:	-9.28(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(3,6-dichloro-2-fluorophenyl)-3-methylbut-3-en-1-amine

Drug info:

PubChemData

Smile

C1=CSC(=C1)[C@H](C2=C(C=C(C=C2Cl)Cl)O)N

DOS

IR

Vibrations