Geometry & MOs

Info

ID:	436572
PubChem CID:	135205573
Reduced:	NOC10H19 (2)
Stoich.:	ABC10D19 (2)
Weight, g/mol:	512.264822
ΔH_f, kcal/mol:	-129.53
Dipole, Da:	3.26
IP(EA), eV:	-9.36(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[3-(hydroxymethyl)-4-[3-(pyrrolidin-3-ylamino)-1H-pyrazolo[3,4-b]pyridin-4-yl]pyridin-2-yl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCN.C1=CC(=O)NC1=O

DOS

IR

Vibrations