Geometry & MOs

Info

ID:	209513
PubChem CID:	80682201
Reduced:	ON4C14H24 (1)
Stoich.:	AB4C14D24 (1)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	-24.66
Dipole, Da:	3.14
IP(EA), eV:	-8.93(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]benzoic acid

Drug info:

PubChemData

Smile

CCC1(CCNCC1)C(=O)NCCC2=CN(N=C2)C

DOS

IR

Vibrations