Geometry & MOs

Info

ID:	444425
PubChem CID:	135262365
Reduced:	F2O3N7H23C24 (1)
Stoich.:	A2B3C7D23E24 (1)
Weight, g/mol:	495.183044
ΔH_f, kcal/mol:	-92.23
Dipole, Da:	1.75
IP(EA), eV:	-9.28(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[[4-[[2-[6-(difluoromethyl)pyridin-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carbonyl]amino]acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CN(C=O)C1=C(C=CN=C1)NC2=NC(=NN3C2=CC=C3)C4=NC(=CC=C4)C(F)F

DOS

IR

Vibrations