Geometry & MOs

Info

ID:	28875
PubChem CID:	830184
Reduced:	ON4H12C13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	315.125073
ΔH_f, kcal/mol:	65.22
Dipole, Da:	10.19
IP(EA), eV:	-9.38(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-butan-2-yl]-1-[(4-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C3=NC=NC(=O)C3=CN2

DOS

IR

Vibrations