Geometry & MOs

Info

ID:	255373
PubChem CID:	103131639
Reduced:	ClN3C14H18 (1)
Stoich.:	AB3C14D18 (1)
Weight, g/mol:	233.132826
ΔH_f, kcal/mol:	44.04
Dipole, Da:	6.41
IP(EA), eV:	-8.87(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-fluoro-5-(1-methylpyrazol-3-yl)phenyl]methyl]ethanamine

Drug info:

PubChemData

Smile

CCCNCC1=C(C=CC(=C1)Cl)C2=NN(C=C2)C

DOS

IR

Vibrations