Geometry & MOs

Info

ID:	343094
PubChem CID:	127266267
Reduced:	Cl2O2N3C15H21 (1)
Stoich.:	A2B2C3D15E21 (1)
Weight, g/mol:	254.174276
ΔH_f, kcal/mol:	-88.98
Dipole, Da:	3.07
IP(EA), eV:	-8.69(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2-methoxy-2-methylbutyl)amino]pyrazol-1-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CO)CCC(=O)NC2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations