Geometry & MOs

Info

ID:	216330
PubChem CID:	85086060
Reduced:	NO2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	259.168462
ΔH_f, kcal/mol:	-77.67
Dipole, Da:	3.94
IP(EA), eV:	-9.57(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2CC(C(=O)NC2C1)COCC3=CC=CC=C3

DOS

IR

Vibrations