Geometry & MOs

Info

ID:	312512
PubChem CID:	126606140
Reduced:	NOC5H6 (2)
Stoich.:	ABC5D6 (2)
Weight, g/mol:	368.196074
ΔH_f, kcal/mol:	-52.81
Dipole, Da:	2.06
IP(EA), eV:	-8.89(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[2-[methyl(nitroso)amino]cyclohexen-1-yl]ethenyl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CC(=C1N)C=N

DOS

IR

Vibrations