Geometry & MOs

Info

ID:	80748
PubChem CID:	49836645
Reduced:	NSiO2C17H31 (1)
Stoich.:	ABC2D17E31 (1)
Weight, g/mol:	541.270242
ΔH_f, kcal/mol:	-116.72
Dipole, Da:	1.86
IP(EA), eV:	-8.78(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethyl-5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]aniline

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCCCCNOCC1=CC=CC=C1

DOS

IR

Vibrations