Geometry & MOs

Info

ID:	311579
PubChem CID:	126594048
Reduced:	N2O3H28C29 (1)
Stoich.:	A2B3C28D29 (1)
Weight, g/mol:	424.226312
ΔH_f, kcal/mol:	-42.88
Dipole, Da:	6.37
IP(EA), eV:	-8.95(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[5,7-dimethyl-4-(4-methylpyrimidin-5-yl)quinolin-6-yl]phenyl]methyl]morpholine

Drug info:

PubChemData

Smile

CC1=CC2=NC=CC(=C2C(=C1C3=CC=C(C=C3)CN4CCOCC4)C)C5=CC=CC=C5C(=O)O

DOS

IR

Vibrations