Geometry & MOs

Info

ID:	288011
PubChem CID:	104307418
Reduced:	BrNO2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	339.11978
ΔH_f, kcal/mol:	-90.39
Dipole, Da:	2.45
IP(EA), eV:	-9.03(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-bromopropyl)phenyl]-2-ethylhexanamide

Drug info:

PubChemData

Smile

CC1C(CCO1)C(=O)NC2=CC=CC(=C2)CCCBr

DOS

IR

Vibrations