Geometry & MOs

Info

ID:	154462
PubChem CID:	56313903
Reduced:	FO2N4C25H27 (1)
Stoich.:	AB2C4D25E27 (1)
Weight, g/mol:	427.15299
ΔH_f, kcal/mol:	-42.04
Dipole, Da:	3.34
IP(EA), eV:	-8.14(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC2=C(C=CC=N2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations