Geometry & MOs

Info

ID:	302825
PubChem CID:	124396992
Reduced:	O5C20H32 (1)
Stoich.:	A5B20C32 (1)
Weight, g/mol:	435.190654
ΔH_f, kcal/mol:	-234.33
Dipole, Da:	1.03
IP(EA), eV:	-9.84(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[4-(5,7-dioxopyrrolo[3,4-d]pyridazin-6-yl)benzoyl]-N,N-diethylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC/C=C/C[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C/CCCC(=O)O)O)O)O

DOS

IR

Vibrations