Geometry & MOs

Info

ID:	373522
PubChem CID:	131316481
Reduced:	OC9H16 (1)
Stoich.:	AB9C16 (1)
Weight, g/mol:	167.105862
ΔH_f, kcal/mol:	-48.3
Dipole, Da:	3.65
IP(EA), eV:	-9.87(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-3-pyrrolidin-2-yl-1,4-dihydropyrazol-5-one

Drug info:

PubChemData

Smile

CCC(C)(C)/C=C(/C)\C=O

DOS

IR

Vibrations