Geometry & MOs

Info

ID:	29941
PubChem CID:	838442
Reduced:	O2N3H15C17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	230.141913
ΔH_f, kcal/mol:	19.79
Dipole, Da:	4.2
IP(EA), eV:	-9.06(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)NN=CC3=CC=CO3

DOS

IR

Vibrations