Geometry & MOs

Info

ID:	441947
PubChem CID:	135246897
Reduced:	BrO3N4C13H13 (1)
Stoich.:	AB3C4D13E13 (1)
Weight, g/mol:	411.212219
ΔH_f, kcal/mol:	-30.49
Dipole, Da:	1.46
IP(EA), eV:	-8.93(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-[6-[3-(2-ethylphenyl)pyridin-2-yl]oxy-4H-azepin-2-yl]-2,2-difluoro-N-methylethanamine

Drug info:

PubChemData

Smile

CN(CC(=O)OC)C1=NC=C(C=N1)OC2=C(C=CC=N2)Br

DOS

IR

Vibrations