Geometry & MOs

Info

ID:	331971
PubChem CID:	127250257
Reduced:	ON3H25C26 (1)
Stoich.:	AB3C25D26 (1)
Weight, g/mol:	442.198046
ΔH_f, kcal/mol:	63.94
Dipole, Da:	1.89
IP(EA), eV:	-8.77(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-[[2-[5-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-yl]morpholin-4-yl]methyl]pyridin-2-amine

Drug info:

PubChemData

Smile

C1COC(CN1CC2=C3C=CC=NC3=CC=C2)C4=NC=C(C=C4)CC5=CC=CC=C5

DOS

IR

Vibrations