Geometry & MOs

Info

ID:	245931
PubChem CID:	103029278
Reduced:	ClN2O4C12H15 (1)
Stoich.:	AB2C4D12E15 (1)
Weight, g/mol:	325.05899
ΔH_f, kcal/mol:	-97.68
Dipole, Da:	9.72
IP(EA), eV:	-9.57(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-4-fluorophenyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1NC(=O)C(C)(C)OC)Cl)[N+](=O)[O-]

DOS

IR

Vibrations