Geometry & MOs

Info

ID:	443494
PubChem CID:	135259190
Reduced:	O2N7H15C16 (1)
Stoich.:	A2B7C15D16 (1)
Weight, g/mol:	409.120861
ΔH_f, kcal/mol:	23.97
Dipole, Da:	6.62
IP(EA), eV:	-8.89(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(3,7-dimethyl-5-oxo-4,10-diazatricyclo[4.3.1.03,10]deca-1,6,8-trien-9-yl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=C2C(=O)NC3(N2C(=O)C(=C1)NC4=NC=NC5=C4NC=N5)CCC3

DOS

IR

Vibrations