Geometry & MOs

Info

ID:	200826
PubChem CID:	79449389
Reduced:	BrOSN2C15H19 (1)
Stoich.:	ABCD2E15F19 (1)
Weight, g/mol:	341.13543
ΔH_f, kcal/mol:	14.48
Dipole, Da:	2.25
IP(EA), eV:	-8.99(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine

Drug info:

PubChemData

Smile

COCCNCC(CC1=CSC=N1)C2=CC=CC=C2Br

DOS

IR

Vibrations