Geometry & MOs

Info

ID:	443513
PubChem CID:	135259229
Reduced:	SO5N7C25H29 (1)
Stoich.:	AB5C7D25E29 (1)
Weight, g/mol:	307.118158
ΔH_f, kcal/mol:	-151.66
Dipole, Da:	7.45
IP(EA), eV:	-8.88(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7-dimethyl-9-(1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)-4,10-diazatricyclo[4.3.1.03,10]deca-1,6,8-trien-5-one

Drug info:

PubChemData

Smile

CC1=C2C(=O)NC(N2C(=O)C(=C1)NC3=C4C=C(SC4=NC=N3)C(=O)N5CC(C5)NC(=O)OC(C)(C)C)(C)C

DOS

IR

Vibrations