Geometry & MOs

Info

ID:	395266
PubChem CID:	135025043
Reduced:	ON2H16C19 (1)
Stoich.:	AB2C16D19 (1)
Weight, g/mol:	382.211724
ΔH_f, kcal/mol:	67.92
Dipole, Da:	5.82
IP(EA), eV:	-9.7(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-[[4-(3-methoxyanilino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]-4-(methylamino)piperidin-3-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CC(C#N)C#N)CC(=O)C2=CC=CC=C2

DOS

IR

Vibrations