Geometry & MOs

Info

ID:	144586
PubChem CID:	53387058
Reduced:	O2N3C7H7 (1)
Stoich.:	A2B3C7D7 (1)
Weight, g/mol:	254.115476
ΔH_f, kcal/mol:	-2.77
Dipole, Da:	7.01
IP(EA), eV:	-8.77(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-(113C)methyl-4-oxo-1H-(3,4-13C2,115N)pyrrolo[2,1-f](1,4-15N2)[1,2,4]triazin-6-yl) 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

[13CH3][13C]1=C2C(=O)[15N]=CN[15N]2C=[13C]1O

DOS

IR

Vibrations