Geometry & MOs

Info

ID:	363182
PubChem CID:	127310250
Reduced:	SO2N4C18H28 (1)
Stoich.:	AB2C4D18E28 (1)
Weight, g/mol:	358.160518
ΔH_f, kcal/mol:	-64.11
Dipole, Da:	3.64
IP(EA), eV:	-8.61(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-(difluoromethoxy)quinoline-3-carbonitrile

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=C(N=CC=C2)N3CCN4CCCCC4C3

DOS

IR

Vibrations