Geometry & MOs

Info

ID:	173485
PubChem CID:	75643169
Reduced:	NO3C22H27 (1)
Stoich.:	AB3C22D27 (1)
Weight, g/mol:	366.218152
ΔH_f, kcal/mol:	-115.21
Dipole, Da:	3.61
IP(EA), eV:	-9.09(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-benzyl-2-(methoxymethyl)-5-methyl-3-phenyl-1,2,3,3a,4,5,6,8-octahydropyrazolo[1,5-a]pyrimidin-8-ium-7-one

Drug info:

PubChemData

Smile

CCCOC(=O)C1=C(N=C2CCCC(=O)C2C1C3=CC=C(C=C3)CC)C

DOS

IR

Vibrations