Geometry & MOs

Info

ID:	343547
PubChem CID:	127266720
Reduced:	O3N4C17H20 (1)
Stoich.:	A3B4C17D20 (1)
Weight, g/mol:	338.185509
ΔH_f, kcal/mol:	4.11
Dipole, Da:	5.31
IP(EA), eV:	-9.25(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[2-(2-morpholin-4-ylphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1COCCN1C2=CC=CC=C2CCNC3=C(C=CC=N3)[N+](=O)[O-]

DOS

IR

Vibrations