Geometry & MOs

Info

ID:	154241
PubChem CID:	56313647
Reduced:	ClOF4N4H21C23 (1)
Stoich.:	ABC4D4E21F23 (1)
Weight, g/mol:	409.191403
ΔH_f, kcal/mol:	-156.03
Dipole, Da:	4.77
IP(EA), eV:	-8.98(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Cl)C(F)(F)F)CC4=CC=CC=C4F

DOS

IR

Vibrations