Geometry & MOs

Info

ID:	209113
PubChem CID:	80626427
Reduced:	BrSN3C14H24 (1)
Stoich.:	ABC3D14E24 (1)
Weight, g/mol:	279.165686
ΔH_f, kcal/mol:	8.85
Dipole, Da:	4.91
IP(EA), eV:	-8.24(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-propan-2-yloxyphenyl)-(thiolan-2-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1Br)CC(C2CCCS2)NCC)C

DOS

IR

Vibrations