Geometry & MOs

Info

ID:	289843
PubChem CID:	104378654
Reduced:	NC8H13 (2)
Stoich.:	AB8C13 (2)
Weight, g/mol:	238.184527
ΔH_f, kcal/mol:	15.4
Dipole, Da:	2.16
IP(EA), eV:	-8.65(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-tert-butyl-N-[(2-fluoro-3-methylphenyl)methyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

CC(C)(C)NCCNCC1CC1C2=CC=CC=C2

DOS

IR

Vibrations