Geometry & MOs

Info

ID:	200702
PubChem CID:	79430280
Reduced:	BrFN2C14H16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	305.165876
ΔH_f, kcal/mol:	-2.59
Dipole, Da:	3.32
IP(EA), eV:	-9.36(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chloro-2-ethyl-5-methylpyrazol-3-yl)-N-methyl-2-(4-methylphenyl)propan-1-amine

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CC(CBr)C2=CC(=CC=C2)F

DOS

IR

Vibrations