Geometry & MOs

Info

ID:	181411
PubChem CID:	76745216
Reduced:	ClNO2H26C29 (1)
Stoich.:	ABC2D26E29 (1)
Weight, g/mol:	457.144471
ΔH_f, kcal/mol:	-2.87
Dipole, Da:	4.4
IP(EA), eV:	-9.12(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[3-[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-hydroxypropyl]phenyl]methyl formate

Drug info:

PubChemData

Smile

CC(CCC1=CC=CC=C1COC=O)C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3

DOS

IR

Vibrations