Geometry & MOs

Info

ID:	383418
PubChem CID:	134975125
Reduced:	OC8H12 (1)
Stoich.:	AB8C12 (1)
Weight, g/mol:	309.15896
ΔH_f, kcal/mol:	-35.66
Dipole, Da:	2.16
IP(EA), eV:	-9.85(2.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dihydro-2H-pyrrol-5-yl)-5-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-phenyl-1H-pyrazol-3-one

Drug info:

PubChemData

Smile

C1CC2C3C2(CC1C3)O

DOS

IR

Vibrations