Geometry & MOs

Info

ID:	206428
PubChem CID:	80249521
Reduced:	BrNOSC10H14 (1)
Stoich.:	ABCDE10F14 (1)
Weight, g/mol:	253.150036
ΔH_f, kcal/mol:	-43.55
Dipole, Da:	1.62
IP(EA), eV:	-8.96(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methylthiophen-2-yl)methyl]-2-propan-2-yloxan-4-amine

Drug info:

PubChemData

Smile

CCC(C(=O)NCC1=C(C=CS1)C)Br

DOS

IR

Vibrations