Geometry & MOs

Info

ID:	378377
PubChem CID:	134224456
Reduced:	NO2C12H21 (1)
Stoich.:	AB2C12D21 (1)
Weight, g/mol:	459.201888
ΔH_f, kcal/mol:	-113.78
Dipole, Da:	5.99
IP(EA), eV:	-8.78(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-hydroxyethanone

Drug info:

PubChemData

Smile

CCCCCCN/C=C\1/CC(OC1=O)C

DOS

IR

Vibrations