Geometry & MOs

Info

ID:	178951
PubChem CID:	76406786
Reduced:	OSN5C15H25 (1)
Stoich.:	ABC5D15E25 (1)
Weight, g/mol:	313.19026
ΔH_f, kcal/mol:	-26.64
Dipole, Da:	0.45
IP(EA), eV:	-8.81(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-methylpyrazol-3-yl)propyl]-3-phenylpyrazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CCSC1=NC=C(C=N1)CN2CC(CC2C(=O)NC(C)C)N

DOS

IR

Vibrations