Geometry & MOs

Info

ID:	172167
PubChem CID:	75473853
Reduced:	O3N4C23H24 (1)
Stoich.:	A3B4C23D24 (1)
Weight, g/mol:	341.185175
ΔH_f, kcal/mol:	-37.62
Dipole, Da:	7.48
IP(EA), eV:	-8.72(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-benzamido-1H-pyrazol-5-yl)-N-ethylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NC2=C(NN=C2)C3CCCN(C3)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations