Geometry & MOs

Info

ID:	206381
PubChem CID:	80242074
Reduced:	BrN2S2H13C14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	309.059028
ΔH_f, kcal/mol:	62.04
Dipole, Da:	3.64
IP(EA), eV:	-8.45(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(4-methylthiophen-3-yl)methyl]methanamine

Drug info:

PubChemData

Smile

CCC1=C(SC=C1)CN2C3=C(C=C(C=C3)Br)NC2=S

DOS

IR

Vibrations