Geometry & MOs

Info

ID:	190486
PubChem CID:	78011412
Reduced:	ON5C14H23 (1)
Stoich.:	AB5C14D23 (1)
Weight, g/mol:	276.195011
ΔH_f, kcal/mol:	7.24
Dipole, Da:	4.25
IP(EA), eV:	-8.75(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(N-methylanilino)-1-[5-(propan-2-ylamino)pyrazolidin-3-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)NC1CC(NN1)C(=O)CN(C)C2=CC=NC=C2

DOS

IR

Vibrations