Geometry & MOs

Info

ID:	259988
PubChem CID:	103179013
Reduced:	NO3C14H29 (1)
Stoich.:	AB3C14D29 (1)
Weight, g/mol:	311.089991
ΔH_f, kcal/mol:	-143.19
Dipole, Da:	2.21
IP(EA), eV:	-8.62(1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[2-(3-methoxypropoxy)ethyl]-4-(trifluoromethyl)aniline

Drug info:

PubChemData

Smile

CC(C)(C)NCC(=C)COCCOCCCOC

DOS

IR

Vibrations