Geometry & MOs

Info

ID:	208380
PubChem CID:	80526816
Reduced:	BrSN3C15H22 (1)
Stoich.:	ABC3D15E22 (1)
Weight, g/mol:	303.111542
ΔH_f, kcal/mol:	42.85
Dipole, Da:	2.91
IP(EA), eV:	-9.1(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-2-thiophen-2-ylpropyl)-3,4-dihydro-2H-thiochromen-4-amine

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1Br)CNCC(C)(C)C2=CC=CS2)C

DOS

IR

Vibrations