Geometry & MOs

Info

ID:	208425
PubChem CID:	80529436
Reduced:	ClFNSC14H15 (1)
Stoich.:	ABCDE14F15 (1)
Weight, g/mol:	217.069198
ΔH_f, kcal/mol:	-13.47
Dipole, Da:	2.55
IP(EA), eV:	-9.11(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorothiophen-2-yl)-2-ethylbutan-1-amine

Drug info:

PubChemData

Smile

CCCNC(C1=CC(=CC=C1)F)C2=C(C=CS2)Cl

DOS

IR

Vibrations