Geometry & MOs

Info

ID:	277671
PubChem CID:	103830281
Reduced:	N2O2C13H18 (1)
Stoich.:	A2B2C13D18 (1)
Weight, g/mol:	258.148061
ΔH_f, kcal/mol:	-67.39
Dipole, Da:	3.58
IP(EA), eV:	-9.47(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-propylpyrazol-4-yl)methylamino]benzamide

Drug info:

PubChemData

Smile

CCCOCC(=O)N1CCC2=C(C1)C=CC=N2

DOS

IR

Vibrations