Geometry & MOs

Info

ID:	420829
PubChem CID:	135114897
Reduced:	O3N6C19H22 (1)
Stoich.:	A3B6C19D22 (1)
Weight, g/mol:	350.185509
ΔH_f, kcal/mol:	-0.89
Dipole, Da:	4.26
IP(EA), eV:	-9.27(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-6-[[methyl-[2-(2-methylindol-1-yl)ethyl]amino]methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=NC(=NN1)C(C)NC(=O)C2=C(ON=C2N3CCOCC3)C4=CC=CC=C4

DOS

IR

Vibrations