Geometry & MOs

Info

ID:	216822
PubChem CID:	85086830
Reduced:	N3O6C12H23 (1)
Stoich.:	A3B6C12D23 (1)
Weight, g/mol:	309.147727
ΔH_f, kcal/mol:	-271.87
Dipole, Da:	3.37
IP(EA), eV:	-9.51(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-(hydroxymethyl)-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrazol-3-yl]benzamide

Drug info:

PubChemData

Smile

C1CCC(=NC(C1)CCN)N.C(C(C(=O)O)O)(C(=O)O)O

DOS

IR

Vibrations