Geometry & MOs

Info

ID:	422779
PubChem CID:	135118393
Reduced:	FSO2N4C15H17 (1)
Stoich.:	ABC2D4E15F17 (1)
Weight, g/mol:	346.180504
ΔH_f, kcal/mol:	-34.39
Dipole, Da:	4.23
IP(EA), eV:	-9.08(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-(4-fluorophenoxy)ethyl]-1,4-diazepan-1-yl]-(3-methylimidazol-4-yl)methanone

Drug info:

PubChemData

Smile

CSCC1=NOC(=N1)CN2CCNC(=O)C2C3=CC=C(C=C3)F

DOS

IR

Vibrations