Geometry & MOs

Info

ID:	443491
PubChem CID:	135259182
Reduced:	O2N5C22H23 (1)
Stoich.:	A2B5C22D23 (1)
Weight, g/mol:	338.185509
ΔH_f, kcal/mol:	-30.64
Dipole, Da:	4.82
IP(EA), eV:	-8.63(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-ylamino)-8-methylspiro[2,5-dihydroimidazo[1,5-a]pyridine-3,1'-cyclopentane]-1-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C4C(=O)NC5(N4C3=O)CCCCC5)C

DOS

IR

Vibrations