Geometry & MOs

Info

ID:	285496
PubChem CID:	104109910
Reduced:	ClN3C10H18 (1)
Stoich.:	AB3C10D18 (1)
Weight, g/mol:	239.144077
ΔH_f, kcal/mol:	4.98
Dipole, Da:	1.38
IP(EA), eV:	-9.45(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(4-ethylphenyl)methyl]pentan-2-amine

Drug info:

PubChemData

Smile

CC(CC(C)Cl)NCCN1C=CC=N1

DOS

IR

Vibrations