Geometry & MOs

Info

ID:	333634
PubChem CID:	127252186
Reduced:	FON4C27H29 (1)
Stoich.:	ABC4D27E29 (1)
Weight, g/mol:	413.171497
ΔH_f, kcal/mol:	-27.73
Dipole, Da:	4.38
IP(EA), eV:	-9.02(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(pyridin-4-ylmethyl)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

CC1=C2CCC(=O)N(C2=NC(=N1)C3CCN(C3)CCC4=CC=CC=C4)CC5=CC(=CC=C5)F

DOS

IR

Vibrations