Geometry & MOs

Info

ID:	38318
PubChem CID:	8030135
Reduced:	NF2O3H19C20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	324.233227
ΔH_f, kcal/mol:	-173.03
Dipole, Da:	5.62
IP(EA), eV:	-8.72(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-3-(4-chlorophenyl)-6-methylheptyl]-N',N'-dimethylpropane-1,3-diamine

Drug info:

PubChemData

Smile

C[C@H]1C2=CC3=C(C=C2CCN1C(=O)C4=C(C=C(C=C4)F)F)OCCCO3

DOS

IR

Vibrations