Geometry & MOs

Info

ID:	263211
PubChem CID:	103346117
Reduced:	BrFNS2C16H23 (1)
Stoich.:	ABCD2E16F23 (1)
Weight, g/mol:	261.158492
ΔH_f, kcal/mol:	-49.19
Dipole, Da:	3.56
IP(EA), eV:	-8.77(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5,6-dimethyl-1,4-dithian-2-yl)-N-propylbutan-1-amine

Drug info:

PubChemData

Smile

CCNC(CC1=C(C=C(C=C1)Br)F)C2CSC(C(S2)C)C

DOS

IR

Vibrations