Geometry & MOs

Info

ID:	331725
PubChem CID:	127249808
Reduced:	SO2N5C23H27 (1)
Stoich.:	AB2C5D23E27 (1)
Weight, g/mol:	433.247775
ΔH_f, kcal/mol:	17.87
Dipole, Da:	3.54
IP(EA), eV:	-8.49(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,5-dimethylpyrazol-3-yl)-6-[4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]morpholin-2-yl]pyridin-2-amine

Drug info:

PubChemData

Smile

CC1=NN=C(S1)NC2=CC=CC(=N2)C3CN(CCO3)CC4=C(C=C5CCCC5=C4)OC

DOS

IR

Vibrations