Geometry & MOs

Info

ID:	209626
PubChem CID:	80696214
Reduced:	O2N6C13H22 (1)
Stoich.:	A2B6C13D22 (1)
Weight, g/mol:	153.072055
ΔH_f, kcal/mol:	-69.21
Dipole, Da:	6.91
IP(EA), eV:	-8.73(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(2-fluoroethyl)butan-1-amine

Drug info:

PubChemData

Smile

CCCCC(CN)NC1=NC2=C(N1)C(=O)N(C(=O)N2C)C

DOS

IR

Vibrations