Geometry & MOs

Info

ID:	331759
PubChem CID:	127250043
Reduced:	OF3N4C24H27 (1)
Stoich.:	AB3C4D24E27 (1)
Weight, g/mol:	431.257277
ΔH_f, kcal/mol:	-125.44
Dipole, Da:	2.42
IP(EA), eV:	-8.65(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[N-methyl-4-[[2-[6-[(2-methylphenyl)methyl]pyridin-2-yl]morpholin-4-yl]methyl]anilino]ethanol

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C)CN2CCOC(C2)C3=CC=CC(=N3)CC4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations