Geometry & MOs

Info

ID:	225942
PubChem CID:	87246454
Reduced:	N3C12H29 (1)
Stoich.:	A3B12C29 (1)
Weight, g/mol:	455.165207
ΔH_f, kcal/mol:	-42.68
Dipole, Da:	1.78
IP(EA), eV:	-8.97(2.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(1-hydroxypropan-2-yl)phenyl]propanal

Drug info:

PubChemData

Smile

CCCCCCCCNCC(CCN)N

DOS

IR

Vibrations