Geometry & MOs

Info

ID:	305795
PubChem CID:	124969458
Reduced:	FO2N5C18H20 (1)
Stoich.:	AB2C5D18E20 (1)
Weight, g/mol:	438.274324
ΔH_f, kcal/mol:	-45.46
Dipole, Da:	3.31
IP(EA), eV:	-8.77(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexyl-[(3R)-3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone

Drug info:

PubChemData

Smile

C1CC1C2=NC=C(C=N2)C(=O)NC[C@@]3(CCN(C3)C4=NC=C(C=C4)F)O

DOS

IR

Vibrations