Geometry & MOs

Info

ID:	183956
PubChem CID:	77092961
Reduced:	FON5C20H24 (1)
Stoich.:	ABC5D20E24 (1)
Weight, g/mol:	314.154289
ΔH_f, kcal/mol:	-17.4
Dipole, Da:	4.66
IP(EA), eV:	-8.63(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-2-pyrazin-2-ylethanone

Drug info:

PubChemData

Smile

CN(CC1=CC2=C(N1)C=CC(=C2)F)CC3=CN=C(N=C3)NCC4CCCO4

DOS

IR

Vibrations