Geometry & MOs

Info

ID:	140266
PubChem CID:	52671969
Reduced:	SF3O3N5H18C19 (1)
Stoich.:	AB3C3D5E18F19 (1)
Weight, g/mol:	315.183444
ΔH_f, kcal/mol:	-182.34
Dipole, Da:	3.14
IP(EA), eV:	-9.5(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethoxyphenyl)methyl]-1-(4-propoxyphenyl)methanamine

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=NC=C(C=C2)C(F)(F)F)C(=O)NS(=O)(=O)N(C)CC3=CC=CC=C3

DOS

IR

Vibrations