Geometry & MOs

Info

ID:	252231
PubChem CID:	103109937
Reduced:	ClON2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	256.175105
ΔH_f, kcal/mol:	-21.98
Dipole, Da:	4.07
IP(EA), eV:	-8.52(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[(2,4-difluoro-5-methylphenyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NCC2=C(C(=CC=C2)N)C)Cl

DOS

IR

Vibrations