Geometry & MOs

Info

ID:	285501
PubChem CID:	104109927
Reduced:	ClNC13H20 (1)
Stoich.:	ABC13D20 (1)
Weight, g/mol:	225.128427
ΔH_f, kcal/mol:	-20.77
Dipole, Da:	3.08
IP(EA), eV:	-9.08(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(C)CC(C)Cl

DOS

IR

Vibrations