Geometry & MOs

Info

ID:	364082
PubChem CID:	127313871
Reduced:	ClO2N4C19H25 (1)
Stoich.:	AB2C4D19E25 (1)
Weight, g/mol:	345.208613
ΔH_f, kcal/mol:	-9.08
Dipole, Da:	1.62
IP(EA), eV:	-8.78(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(oxan-4-ylmethyl)piperazin-1-yl]sulfonylazepane

Drug info:

PubChemData

Smile

C1COCCC1CN2CCN(CC2)CC3=NC(=NO3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations