Geometry & MOs

Info

ID:	351565
PubChem CID:	127280457
Reduced:	O3N5C20H27 (1)
Stoich.:	A3B5C20D27 (1)
Weight, g/mol:	387.201888
ΔH_f, kcal/mol:	-48.12
Dipole, Da:	4.16
IP(EA), eV:	-9.39(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-[2-oxo-2-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)C1=NOC2=C1C=C(C=N2)C(=O)N3CCN(CC3)C(=O)CN4CCCC4

DOS

IR

Vibrations