Geometry & MOs

Info

ID:	276034
PubChem CID:	103820093
Reduced:	SN4C16H20 (1)
Stoich.:	AB4C16D20 (1)
Weight, g/mol:	295.125154
ΔH_f, kcal/mol:	71.74
Dipole, Da:	7.09
IP(EA), eV:	-8.17(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-fluoro-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline

Drug info:

PubChemData

Smile

CCC(CC)N1C=CC(=N1)CNC2=CC3=C(C=C2)N=CS3

DOS

IR

Vibrations