Geometry & MOs

Info

ID:	122120
PubChem CID:	50795245
Reduced:	N6C21H22 (1)
Stoich.:	A6B21C22 (1)
Weight, g/mol:	338.185509
ΔH_f, kcal/mol:	114.34
Dipole, Da:	2.63
IP(EA), eV:	-8.47(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methoxyphenyl)methyl]-1-methyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CNC2=C3C=NN(C3=NC(=N2)NCC4=CC=CC=C4)C

DOS

IR

Vibrations