Geometry & MOs

Info

ID:	444434
PubChem CID:	135262398
Reduced:	O2N4H16C19 (1)
Stoich.:	A2B4C16D19 (1)
Weight, g/mol:	391.139287
ΔH_f, kcal/mol:	61.41
Dipole, Da:	1.45
IP(EA), eV:	-9.1(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[4-[[2-(6-methoxypyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridin-2-yl]carbamate

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=N1)C2=NN3C=CC=C3C(=N2)OC4=CC=CC=C4

DOS

IR

Vibrations