Geometry & MOs

Info

ID:	331809
PubChem CID:	127250093
Reduced:	O2N3C27H27 (1)
Stoich.:	A2B3C27D27 (1)
Weight, g/mol:	388.189926
ΔH_f, kcal/mol:	-0.86
Dipole, Da:	4.9
IP(EA), eV:	-8.54(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CCC2=CNC3=CC=CC=C32)C4=CC=CC(=N4)CC5=CC=CC=C5

DOS

IR

Vibrations