Geometry & MOs

Info

ID:	157343
PubChem CID:	56422905
Reduced:	N5O5C18H19 (1)
Stoich.:	A5B5C18D19 (1)
Weight, g/mol:	375.190654
ΔH_f, kcal/mol:	-61.87
Dipole, Da:	13.52
IP(EA), eV:	-9.07(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=NN=C(C=C2)N3CCCC3)[N+](=O)[O-]

DOS

IR

Vibrations