Geometry & MOs

Info

ID:	59778
PubChem CID:	24896799
Reduced:	NOC9H12 (2)
Stoich.:	ABC9D12 (2)
Weight, g/mol:	337.110965
ΔH_f, kcal/mol:	-35.87
Dipole, Da:	3.45
IP(EA), eV:	-7.99(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(1-benzothiophen-2-ylmethyl)-2-N-methylpyrimido[4,5-d]pyrimidine-2,5,7-triamine

Drug info:

PubChemData

Smile

CNCC(C(C1=CC=C(C=C1)OC)N(C)C2=CC=CC=C2)O

DOS

IR

Vibrations