Geometry & MOs

Info

ID:	29939
PubChem CID:	838433
Reduced:	O2N3C14H21 (1)
Stoich.:	A2B3C14D21 (1)
Weight, g/mol:	230.141913
ΔH_f, kcal/mol:	-35.75
Dipole, Da:	2.05
IP(EA), eV:	-8.54(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,3aR)-6,6-dimethyl-3-phenyl-3,3a,4,7-tetrahydro-2H-pyrano[4,3-c]pyrazole

Drug info:

PubChemData

Smile

CC(=NN)C1=CC(=C(C=C1)OC)CN2CCOCC2

DOS

IR

Vibrations