Geometry & MOs

Info

ID:	220707
PubChem CID:	85230613
Reduced:	NO2C12H21 (1)
Stoich.:	AB2C12D21 (1)
Weight, g/mol:	216.137497
ΔH_f, kcal/mol:	-88.23
Dipole, Da:	4.8
IP(EA), eV:	-9.3(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-(4-methylanilino)pyrazolidine-4-carbonitrile

Drug info:

PubChemData

Smile

CC(C=C)C(C(=O)N1CCCCC1)OC

DOS

IR

Vibrations