Geometry & MOs

Info

ID:	332294
PubChem CID:	127250580
Reduced:	O3N6C21H26 (1)
Stoich.:	A3B6C21D26 (1)
Weight, g/mol:	418.200491
ΔH_f, kcal/mol:	-68.33
Dipole, Da:	2.18
IP(EA), eV:	-8.9(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(6-aminopyridin-3-yl)pyridin-2-yl]morpholin-4-yl]-3-(2-methylphenoxy)propan-1-one

Drug info:

PubChemData

Smile

C1CCC(=O)N(CC1)CC(=O)N2CCOC(C2)C3=CC=CC(=N3)C4=CN=C(N=C4)N

DOS

IR

Vibrations