Geometry & MOs

Info

ID:	186343
PubChem CID:	77422499
Reduced:	NO11C28H31 (1)
Stoich.:	AB11C28D31 (1)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	-425.05
Dipole, Da:	3.66
IP(EA), eV:	-9.31(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-N-(1-hydroxy-3-methylbut-3-en-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

Drug info:

PubChemData

Smile

CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC(=C5C4=O)CO)O)(C(=O)CO)O)NC)O

DOS

IR

Vibrations