Geometry & MOs

Info

ID:	197734
PubChem CID:	78989418
Reduced:	N2O3C11H20 (1)
Stoich.:	A2B3C11D20 (1)
Weight, g/mol:	314.9751
ΔH_f, kcal/mol:	-144.31
Dipole, Da:	7.05
IP(EA), eV:	-9.85(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine

Drug info:

PubChemData

Smile

CC1CC1NC(=O)N[C@@H](CC(C)C)C(=O)O

DOS

IR

Vibrations