Geometry & MOs

Info

ID:	207317
PubChem CID:	80375157
Reduced:	ON5C11H21 (1)
Stoich.:	AB5C11D21 (1)
Weight, g/mol:	325.02777
ΔH_f, kcal/mol:	-10.57
Dipole, Da:	6.5
IP(EA), eV:	-8.64(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-2-(2,6-difluorophenyl)-N-methylethanamine

Drug info:

PubChemData

Smile

CC1=NC(=NN1)C(=O)NCC(C)(C)CN(C)C

DOS

IR

Vibrations