Geometry & MOs

Info

ID:	84881
PubChem CID:	49870557
Reduced:	O2N5H21C22 (1)
Stoich.:	A2B5C21D22 (1)
Weight, g/mol:	359.17461
ΔH_f, kcal/mol:	30.5
Dipole, Da:	7.24
IP(EA), eV:	-8.91(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bicyclo[4.2.0]octa-1,3,5-trienyl-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]methanone

Drug info:

PubChemData

Smile

C1CC12CN(CCN2C(=O)C3CC(=O)C4=CC=CC=C34)C5=NC=NC6=C5C=CN6

DOS

IR

Vibrations