Geometry & MOs

Info

ID:	147321
PubChem CID:	53786977
Reduced:	NO3C26H33 (1)
Stoich.:	AB3C26D33 (1)
Weight, g/mol:	194.105528
ΔH_f, kcal/mol:	-86.37
Dipole, Da:	6.99
IP(EA), eV:	-8.28(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5a,6,7,8,9,9a,9b-octahydro-1H-chromeno[4,3-c]pyrazol-3-one

Drug info:

PubChemData

Smile

CC(C)OC1=CC(=C(C=C1C=CC(=O)C2=CC=C(C=C2)N)C(C)(C)C=C)OC(C)C

DOS

IR

Vibrations