Geometry & MOs

Info

ID:	177322
PubChem CID:	76167302
Reduced:	O2N5C18H21 (1)
Stoich.:	A2B5C18D21 (1)
Weight, g/mol:	258.148061
ΔH_f, kcal/mol:	-26.06
Dipole, Da:	1.63
IP(EA), eV:	-9.44(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C2=CN=C3C(=N2)C(=CN3)C(=O)NC(C)C(C)(C)O

DOS

IR

Vibrations