Geometry & MOs

Info

ID:	422788
PubChem CID:	135118410
Reduced:	O2N7C18H21 (1)
Stoich.:	A2B7C18D21 (1)
Weight, g/mol:	337.136117
ΔH_f, kcal/mol:	58.72
Dipole, Da:	7.22
IP(EA), eV:	-9.46(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)thieno[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2CCN(C2)C(=O)COC3=CC=C(C=C3)N4C=NN=N4)C

DOS

IR

Vibrations