Geometry & MOs

Info

ID:	349341
PubChem CID:	127275128
Reduced:	ON2C7H12 (2)
Stoich.:	AB2C7D12 (2)
Weight, g/mol:	399.162806
ΔH_f, kcal/mol:	-68.77
Dipole, Da:	4.56
IP(EA), eV:	-8.48(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(2-methyl-1,4-oxazepan-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1CN(CCCO1)CC(=O)NC2=C(N(N=C2C)C)C

DOS

IR

Vibrations