Geometry & MOs

Info

ID:	157338
PubChem CID:	56422899
Reduced:	O3N5C22H25 (1)
Stoich.:	A3B5C22D25 (1)
Weight, g/mol:	351.133139
ΔH_f, kcal/mol:	-38.36
Dipole, Da:	6.09
IP(EA), eV:	-8.8(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-cyanoanilino)-2-oxoethyl] 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)C2=NN=C(C=C2)N3CCCC3)C

DOS

IR

Vibrations