Geometry & MOs

Info

ID:	305748
PubChem CID:	124967553
Reduced:	O3N4C12H18 (1)
Stoich.:	A3B4C12D18 (1)
Weight, g/mol:	457.175004
ΔH_f, kcal/mol:	-85.81
Dipole, Da:	4.01
IP(EA), eV:	-9.55(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-[6-(4-methoxyphenoxy)pyridin-2-yl]morpholin-4-yl]-(6-pyrazol-1-ylpyridin-3-yl)methanone

Drug info:

PubChemData

Smile

C[C@@]1(CN(CCO1)C(=O)CN2C=CC=N2)C(=O)NC

DOS

IR

Vibrations