Geometry & MOs

Info

ID:	157398
PubChem CID:	56423658
Reduced:	SN3O4C21H25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	354.169191
ΔH_f, kcal/mol:	-140.61
Dipole, Da:	5.95
IP(EA), eV:	-8.81(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[benzyl(methyl)amino]-2-oxoethyl] 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2)NC(=O)CCSCC(=O)OC

DOS

IR

Vibrations