Geometry & MOs

Info

ID:	378379
PubChem CID:	134224458
Reduced:	ClO3N5C12H14 (1)
Stoich.:	AB3C5D12E14 (1)
Weight, g/mol:	515.300873
ΔH_f, kcal/mol:	-55.74
Dipole, Da:	2.59
IP(EA), eV:	-9.12(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-1-[[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]amino]-4-methylpentan-1-ol

Drug info:

PubChemData

Smile

C=CC1C(C(OC1N2C=NC3=C(N=C(N=C32)Cl)N)CO)O

DOS

IR

Vibrations