Geometry & MOs

Info

ID:	415750
PubChem CID:	135088750
Reduced:	ClFN2O2C15H18 (1)
Stoich.:	ABC2D2E15F18 (1)
Weight, g/mol:	266.210661
ΔH_f, kcal/mol:	-104.5
Dipole, Da:	6.42
IP(EA), eV:	-9.08(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylamino]-N-(2-methylpropyl)acetamide

Drug info:

PubChemData

Smile

CN1C[C@H]2CN([C@@H](C1)COC2)C(=O)C3=CC(=CC(=C3)Cl)F

DOS

IR

Vibrations