Geometry & MOs

Info

ID:	154666
PubChem CID:	56314154
Reduced:	FCl2N2O2C20H21 (1)
Stoich.:	AB2C2D2E20F21 (1)
Weight, g/mol:	410.157661
ΔH_f, kcal/mol:	-96.91
Dipole, Da:	3.7
IP(EA), eV:	-9.05(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)COC2=C(C=CC(=C2)Cl)Cl)CC3=CC=CC=C3F

DOS

IR

Vibrations