Geometry & MOs

Info

ID:	217230
PubChem CID:	85087474
Reduced:	ClPN4C16H30 (1)
Stoich.:	ABC4D16E30 (1)
Weight, g/mol:	348.02958
ΔH_f, kcal/mol:	-16.32
Dipole, Da:	6.93
IP(EA), eV:	-8.12(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromophenyl)-2-sulfanylidene-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-3-carbonitrile

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C=CP(N(C)C)(N(C)C)(N(C)C)Cl

DOS

IR

Vibrations