Geometry & MOs

Info

ID:	272063
PubChem CID:	103722721
Reduced:	BrClN2O2C13H18 (1)
Stoich.:	ABC2D2E13F18 (1)
Weight, g/mol:	267.194677
ΔH_f, kcal/mol:	-83.4
Dipole, Da:	2.08
IP(EA), eV:	-10.14(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-N-[2-(2-hydroxyethyl)pentyl]-5-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCC(CCO)CNC(=O)C1=C(N=CC(=C1)Br)Cl

DOS

IR

Vibrations