Geometry & MOs

Info

ID:	439594
PubChem CID:	135229370
Reduced:	OSC5H8 (1)
Stoich.:	ABC5D8 (1)
Weight, g/mol:	429.203699
ΔH_f, kcal/mol:	-34.94
Dipole, Da:	1.25
IP(EA), eV:	-8.91(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3R,4S)-4-fluoro-1-[4-[(3-methoxy-1-methylpyrazol-4-yl)amino]-7-methylimidazo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-3-yl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1COCC=C1S

DOS

IR

Vibrations