Geometry & MOs

Info

ID:	332398
PubChem CID:	127250684
Reduced:	O2N6C23H24 (1)
Stoich.:	A2B6C23D24 (1)
Weight, g/mol:	380.196074
ΔH_f, kcal/mol:	49.04
Dipole, Da:	2.9
IP(EA), eV:	-8.79(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-methylpyrazol-1-yl)-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)CCN4C5=CC=CC=C5C=N4

DOS

IR

Vibrations