Geometry & MOs

Info

ID:	29497
PubChem CID:	834440
Reduced:	OSCl2N2C12H12 (1)
Stoich.:	ABC2D2E12F12 (1)
Weight, g/mol:	323.0321
ΔH_f, kcal/mol:	-34.02
Dipole, Da:	6.68
IP(EA), eV:	-8.8(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromo-2-methoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC1=NC2=C(S1)C=CC(=C2Cl)Cl

DOS

IR

Vibrations