Geometry & MOs

Info

ID:	365154
PubChem CID:	127316958
Reduced:	O2S2N4C11H18 (1)
Stoich.:	A2B2C4D11E18 (1)
Weight, g/mol:	358.160518
ΔH_f, kcal/mol:	-34.66
Dipole, Da:	7.32
IP(EA), eV:	-8.84(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-cyclobutylpiperazin-1-yl)-6-(difluoromethoxy)quinoline-3-carbonitrile

Drug info:

PubChemData

Smile

C1CC(C1)N2CCN(CC2)C3=NC=C(S3)S(=O)(=O)N

DOS

IR

Vibrations