Geometry & MOs

Info

ID:	141344
PubChem CID:	52863703
Reduced:	N3O5H25C26 (1)
Stoich.:	A3B5C25D26 (1)
Weight, g/mol:	380.9992
ΔH_f, kcal/mol:	-132.45
Dipole, Da:	7.78
IP(EA), eV:	-8.74(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-2-[(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-(4-chlorophenyl)ethanol

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)C(=O)CCC(=O)NCC3=CC(=CC=C3)NC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations