Geometry & MOs

Info

ID:	144587
PubChem CID:	53387059
Reduced:	NOC4H5 (3)
Stoich.:	ABC4D5 (3)
Weight, g/mol:	272.081589
ΔH_f, kcal/mol:	-63.88
Dipole, Da:	5.65
IP(EA), eV:	-8.86(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)O[13C]1=C[15N]2C(=[13C]1[13CH3])C(=O)[15N]=CN2

DOS

IR

Vibrations