Geometry & MOs

Info

ID:	129634
PubChem CID:	51073398
Reduced:	N3O3C11H19 (1)
Stoich.:	A3B3C11D19 (1)
Weight, g/mol:	284.163711
ΔH_f, kcal/mol:	-86.94
Dipole, Da:	2.83
IP(EA), eV:	-9.19(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-(4-piperidin-1-ylphenyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C(=O)N(CCOC)CCOC

DOS

IR

Vibrations