Geometry & MOs

Info

ID:	263201
PubChem CID:	103345430
Reduced:	N2S2C13H20 (1)
Stoich.:	A2B2C13D20 (1)
Weight, g/mol:	289.077048
ΔH_f, kcal/mol:	8.27
Dipole, Da:	2.51
IP(EA), eV:	-8.69(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-difluorophenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanamine

Drug info:

PubChemData

Smile

CC1C(SC(CS1)C(CC2=CN=CC=C2)N)C

DOS

IR

Vibrations