Geometry & MOs

Info

ID:	446610
PubChem CID:	135276368
Reduced:	FON6C18H23 (1)
Stoich.:	ABC6D18E23 (1)
Weight, g/mol:	476.289974
ΔH_f, kcal/mol:	-27.49
Dipole, Da:	1.67
IP(EA), eV:	-8.68(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[1-[6-(cyclobutylamino)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=NN=C2N1C3=C(C=CC(=C3)F)N=C2NCCCCNC(=O)C(C)C

DOS

IR

Vibrations