Geometry & MOs

Info

ID:	272760
PubChem CID:	103755900
Reduced:	OSN6C11H12 (1)
Stoich.:	ABC6D11E12 (1)
Weight, g/mol:	273.15896
ΔH_f, kcal/mol:	71.41
Dipole, Da:	5.71
IP(EA), eV:	-8.7(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-cyano-5,6-diethylpyridazin-3-yl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CCNC2=NN3C(=NNC3=O)C=C2

DOS

IR

Vibrations