Geometry & MOs

Info

ID:	332396
PubChem CID:	127250682
Reduced:	ON2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	406.200491
ΔH_f, kcal/mol:	19.78
Dipole, Da:	2.4
IP(EA), eV:	-9.06(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-1-[2-[5-(1-methylpyrazol-4-yl)pyridin-2-yl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CN=C(C=C2)C3CN(CCO3)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations