Geometry & MOs

Info

ID:	378383
PubChem CID:	134224462
Reduced:	O2N7C29H37 (1)
Stoich.:	A2B7C29D37 (1)
Weight, g/mol:	501.285223
ΔH_f, kcal/mol:	5.56
Dipole, Da:	3.56
IP(EA), eV:	-8.8(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(NC1CCC(CC1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N)O)N

DOS

IR

Vibrations