Geometry & MOs

Info

ID:	444432
PubChem CID:	135262388
Reduced:	OF3N8C25H25 (1)
Stoich.:	AB3C8D25E25 (1)
Weight, g/mol:	423.161915
ΔH_f, kcal/mol:	-61.58
Dipole, Da:	7.4
IP(EA), eV:	-8.97(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[6-(difluoromethyl)pyridin-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)CCCNC(=O)C2=C(C=CN=C2)NC3=NC(=NN4C3=CC=C4)C5=NC(=CC=C5)C(F)(F)F

DOS

IR

Vibrations