Geometry & MOs

Info

ID:	216741
PubChem CID:	85086711
Reduced:	O3C19H22 (1)
Stoich.:	A3B19C22 (1)
Weight, g/mol:	302.210661
ΔH_f, kcal/mol:	-46.2
Dipole, Da:	4.25
IP(EA), eV:	-9.3(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-dimethylphenyl)-N-propyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCCC2C(O2)COCC3=CC=CC=C3

DOS

IR

Vibrations