Geometry & MOs

Info

ID:	17121
PubChem CID:	484621
Reduced:	O2N3H9C14 (1)
Stoich.:	A2B3C9D14 (1)
Weight, g/mol:	251.069477
ΔH_f, kcal/mol:	26.66
Dipole, Da:	6.46
IP(EA), eV:	-8.62(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(furan-2-yl)-1,5-dihydropyrimido[5,4-b]indol-4-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2)C(=O)N=C(N3)C4=CC=CO4

DOS

IR

Vibrations