Geometry & MOs

Info

ID:	332397
PubChem CID:	127250683
Reduced:	O3N4C23H26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	416.196074
ΔH_f, kcal/mol:	-33.5
Dipole, Da:	4.0
IP(EA), eV:	-8.76(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-indazol-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)CCC4=CC=C(C=C4)OC

DOS

IR

Vibrations