Geometry & MOs

Info

ID:	206394
PubChem CID:	80244149
Reduced:	BrOSN2C13H13 (1)
Stoich.:	ABCD2E13F13 (1)
Weight, g/mol:	251.170771
ΔH_f, kcal/mol:	-0.97
Dipole, Da:	3.46
IP(EA), eV:	-8.85(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1-thiophen-3-ylmethanamine

Drug info:

PubChemData

Smile

CC1=CSC=C1CNC(=O)C2=CC(=C(C=C2)Br)N

DOS

IR

Vibrations