Geometry & MOs

Info

ID:	332298
PubChem CID:	127250584
Reduced:	O3N5C21H27 (1)
Stoich.:	A3B5C21D27 (1)
Weight, g/mol:	406.211724
ΔH_f, kcal/mol:	-84.51
Dipole, Da:	2.04
IP(EA), eV:	-9.1(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(1H-pyrazol-5-yl)pyridin-2-yl]morpholin-4-yl]-3-(4,5,6,7-tetrahydroindazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations