Geometry & MOs

Info

ID:	285513
PubChem CID:	104109953
Reduced:	ClN2C11H17 (1)
Stoich.:	AB2C11D17 (1)
Weight, g/mol:	295.095076
ΔH_f, kcal/mol:	-2.62
Dipole, Da:	2.66
IP(EA), eV:	-9.24(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC(C)Cl)NCC1=CN=CC=C1

DOS

IR

Vibrations