Geometry & MOs

Info

ID:	444354
PubChem CID:	135262182
Reduced:	N3H6C8 (2)
Stoich.:	A3B6C8 (2)
Weight, g/mol:	481.203779
ΔH_f, kcal/mol:	154.36
Dipole, Da:	2.65
IP(EA), eV:	-9.02(-1.04)
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-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C2=NN3C=CC=C3C(=N2)NC4=CC=NC=C4

DOS

IR

Vibrations