Geometry & MOs

Info

ID:	310123
PubChem CID:	126574920
Reduced:	O3C8H10 (1)
Stoich.:	A3B8C10 (1)
Weight, g/mol:	587.141029
ΔH_f, kcal/mol:	-97.19
Dipole, Da:	5.67
IP(EA), eV:	-9.2(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-N-[(3-chlorophenyl)-[4-[[4-(6-chloropyridin-2-yl)piperazin-1-yl]methyl]phenyl]methyl]quinolin-4-amine

Drug info:

PubChemData

Smile

COC1=C(C=CC(C1)O)C=O

DOS

IR

Vibrations