Geometry & MOs

Info

ID:	270575
PubChem CID:	103637159
Reduced:	NSO2C16H21 (1)
Stoich.:	ABC2D16E21 (1)
Weight, g/mol:	354.00376
ΔH_f, kcal/mol:	-51.98
Dipole, Da:	3.81
IP(EA), eV:	-8.2(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-3-nitrophenyl)-N-[(5-ethylthiophen-2-yl)methyl]methanamine

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)CNCC2=C(C(=CC=C2)OCC)O

DOS

IR

Vibrations