Geometry & MOs

Info

ID:	446611
PubChem CID:	135276378
Reduced:	O2N6C27H36 (1)
Stoich.:	A2B6C27D36 (1)
Weight, g/mol:	492.284889
ΔH_f, kcal/mol:	-38.56
Dipole, Da:	2.12
IP(EA), eV:	-8.66(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[1-[6-[(3-hydroxycyclobutyl)amino]-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3CCN(CC3)C(=O)OC(C)(C)C)N(N=C2)C4=NC(=NC(=C4)NC5CCC5)C

DOS

IR

Vibrations