Geometry & MOs

Info

ID:	333104
PubChem CID:	127251652
Reduced:	O3N4C24H28 (1)
Stoich.:	A3B4C24D28 (1)
Weight, g/mol:	446.243024
ΔH_f, kcal/mol:	-33.96
Dipole, Da:	3.92
IP(EA), eV:	-8.63(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-methyl-4-(pyridin-2-ylamino)pyridin-2-yl]morpholin-4-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)CC3=C(C=CC=C3OC)OC)NC4=CC=CC=N4

DOS

IR

Vibrations