Geometry & MOs

Info

ID:	250274
PubChem CID:	103095283
Reduced:	O2S2N3C10H11 (1)
Stoich.:	A2B2C3D10E11 (1)
Weight, g/mol:	281.98263
ΔH_f, kcal/mol:	40.48
Dipole, Da:	9.9
IP(EA), eV:	-9.27(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-bromothiophen-2-yl)ethyl]pyridin-4-amine

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)CNC2=NC=C(S2)[N+](=O)[O-]

DOS

IR

Vibrations