Geometry & MOs

Info

ID:	208401
PubChem CID:	80526837
Reduced:	ClOSN2C16H19 (1)
Stoich.:	ABCD2E16F19 (1)
Weight, g/mol:	308.099477
ΔH_f, kcal/mol:	-12.06
Dipole, Da:	4.31
IP(EA), eV:	-8.96(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-fluoro-2-nitrophenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine

Drug info:

PubChemData

Smile

CC(C)(CNCC(=O)NC1=CC=C(C=C1)Cl)C2=CC=CS2

DOS

IR

Vibrations