Geometry & MOs

Info

ID:	312483
PubChem CID:	126605687
Reduced:	N3O3C16H27 (1)
Stoich.:	A3B3C16D27 (1)
Weight, g/mol:	382.191738
ΔH_f, kcal/mol:	-132.48
Dipole, Da:	5.79
IP(EA), eV:	-9.67(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-N-[(2S)-pentan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

Drug info:

PubChemData

Smile

CCC(C(C)C)(C(=O)N1CC(C1)C#N)NC(=O)OC(C)(C)C

DOS

IR

Vibrations