Geometry & MOs

Info

ID:	279762
PubChem CID:	103845055
Reduced:	OCl2N2C16H16 (1)
Stoich.:	AB2C2D16E16 (1)
Weight, g/mol:	273.12957
ΔH_f, kcal/mol:	-24.13
Dipole, Da:	3.36
IP(EA), eV:	-8.11(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-chloro-2-fluorophenyl)methylamino]-4,4-dimethylpentan-2-ol

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=C(C=C1)NCC2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations