Geometry & MOs

Info

ID:	285503
PubChem CID:	104109930
Reduced:	NCl2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	221.154642
ΔH_f, kcal/mol:	-22.2
Dipole, Da:	2.39
IP(EA), eV:	-9.07(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-butoxyethyl)-4-chloropentan-2-amine

Drug info:

PubChemData

Smile

CC(CC(C)Cl)NCC1=CC=CC=C1Cl

DOS

IR

Vibrations