Geometry & MOs

Info

ID:	328265
PubChem CID:	126700446
Reduced:	NH13C21 (2)
Stoich.:	AB13C21 (2)
Weight, g/mol:	511.34503
ΔH_f, kcal/mol:	197.66
Dipole, Da:	2.52
IP(EA), eV:	-8.01(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[2,4-dimethyl-6-[4-(2-methylpropyl)-1,2-dihydroquinolin-2-yl]phenyl]propoxy]-3-phenylpentan-2-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)N3C4=CC=CC=C4C5=CC6=C(C=C53)C7=CC=CC=C7N8C9=CC=CC=C9C1=C8C6=CC=C1

DOS

IR

Vibrations