Geometry & MOs

Info

ID:	446260
PubChem CID:	135273612
Reduced:	ClO3N6C24H29 (1)
Stoich.:	AB3C6D24E29 (1)
Weight, g/mol:	397.236542
ΔH_f, kcal/mol:	-30.08
Dipole, Da:	2.98
IP(EA), eV:	-8.79(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[5-methyl-1-(oxan-2-yl)indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

Drug info:

PubChemData

Smile

COC1=NC(=CC(=N1)N2CC3CC2CO3)N4C5=CC(=C(C=C5C=N4)Cl)C6CCN(CC6)CCO

DOS

IR

Vibrations