Geometry & MOs

Info

ID:	422627
PubChem CID:	135118160
Reduced:	O2N3C17H19 (1)
Stoich.:	A2B3C17D19 (1)
Weight, g/mol:	316.201159
ΔH_f, kcal/mol:	-38.6
Dipole, Da:	3.87
IP(EA), eV:	-8.95(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2CCC(C2)(C3=CC=CC=C3)C(=O)O)C

DOS

IR

Vibrations