Geometry & MOs

Info

ID:	343526
PubChem CID:	127266699
Reduced:	O4N5C16H21 (1)
Stoich.:	A4B5C16D21 (1)
Weight, g/mol:	347.185844
ΔH_f, kcal/mol:	-92.63
Dipole, Da:	4.88
IP(EA), eV:	-9.41(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-1-methylpyrazolo[3,4-d]pyrimidine

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(N=C1C)NCC2=NN=C(C=C2)OCCOC

DOS

IR

Vibrations