Geometry & MOs

Info

ID:	252193
PubChem CID:	103109722
Reduced:	SN2C15H24 (1)
Stoich.:	AB2C15D24 (1)
Weight, g/mol:	258.129905
ΔH_f, kcal/mol:	9.99
Dipole, Da:	3.55
IP(EA), eV:	-8.28(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[(2-chloro-3-fluorophenyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine

Drug info:

PubChemData

Smile

CCN(C)CC(C)NCC1CSC2=CC=CC=C12

DOS

IR

Vibrations