Geometry & MOs

Info

ID:	252234
PubChem CID:	103109951
Reduced:	SN2C11H24 (1)
Stoich.:	AB2C11D24 (1)
Weight, g/mol:	225.164126
ΔH_f, kcal/mol:	-24.72
Dipole, Da:	0.74
IP(EA), eV:	-8.55(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-ethyl-2-N-[(3-fluoropyridin-4-yl)methyl]-1-N-methylpropane-1,2-diamine

Drug info:

PubChemData

Smile

CCN(C)CC(C)NCC1CCCS1

DOS

IR

Vibrations