Geometry & MOs

Info

ID:	307095
PubChem CID:	125267557
Reduced:	SO4N6C24H28 (1)
Stoich.:	AB4C6D24E28 (1)
Weight, g/mol:	256.096026
ΔH_f, kcal/mol:	-36.24
Dipole, Da:	3.29
IP(EA), eV:	-9.57(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-(4-oxo-2H-pyrimido[5,4-b]indol-3-yl)acetamide

Drug info:

PubChemData

Smile

CCCC1=NC(=NC(=O)C1)N2C(=CC(=N2)C3CC3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

DOS

IR

Vibrations