Geometry & MOs

Info

ID:	183204
PubChem CID:	76991152
Reduced:	O3N4C11H16 (1)
Stoich.:	A3B4C11D16 (1)
Weight, g/mol:	291.133139
ΔH_f, kcal/mol:	-84.43
Dipole, Da:	4.16
IP(EA), eV:	-10.18(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carbonylamino)pyrazine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)CC2=NOC(=N2)C(C)C

DOS

IR

Vibrations