Geometry & MOs

Info

ID:	201316
PubChem CID:	79524258
Reduced:	N3O3C13H21 (1)
Stoich.:	A3B3C13D21 (1)
Weight, g/mol:	246.111676
ΔH_f, kcal/mol:	-112.64
Dipole, Da:	4.31
IP(EA), eV:	-9.44(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-hydroxybenzamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)CCC(N2)C(=O)N[C@@H]3CONC3=O

DOS

IR

Vibrations