Geometry & MOs

Info

ID:	331812
PubChem CID:	127250096
Reduced:	O3N4C24H26 (1)
Stoich.:	A3B4C24D26 (1)
Weight, g/mol:	442.16166
ΔH_f, kcal/mol:	-44.98
Dipole, Da:	4.75
IP(EA), eV:	-8.85(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-aminopyridin-3-yl)-[2-[6-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC2=NC(=CC=C2)C3CN(CCO3)C(=O)C4=CN=C(C=C4)N

DOS

IR

Vibrations