Geometry & MOs

Info

ID:	216859
PubChem CID:	85086889
Reduced:	NO2C20H23 (1)
Stoich.:	AB2C20D23 (1)
Weight, g/mol:	313.215413
ΔH_f, kcal/mol:	-45.14
Dipole, Da:	3.82
IP(EA), eV:	-8.96(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexyl-[3-(2-methylphenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazol-5-yl]methanone

Drug info:

PubChemData

Smile

CC(C(CC(=CC(=O)C1=CC=CC=C1)NC)C2=CC=CC=C2)O

DOS

IR

Vibrations