Geometry & MOs

Info

ID:	197210
PubChem CID:	78938243
Reduced:	BrON2C13H21 (1)
Stoich.:	ABC2D13E21 (1)
Weight, g/mol:	306.103814
ΔH_f, kcal/mol:	-27.2
Dipole, Da:	4.88
IP(EA), eV:	-8.77(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[4-[methyl(1-thiophen-2-ylethyl)amino]-3-nitrophenyl]ethanol

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C=C1)OCCCN(C)C)Br)N

DOS

IR

Vibrations