Geometry & MOs

Info

ID:	269163
PubChem CID:	103616170
Reduced:	NOC5H8 (2)
Stoich.:	ABC5D8 (2)
Weight, g/mol:	281.109503
ΔH_f, kcal/mol:	-34.11
Dipole, Da:	2.76
IP(EA), eV:	-9.39(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-4-fluorophenyl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine

Drug info:

PubChemData

Smile

C1CC(OC1)CCNCC2=CC=NO2

DOS

IR

Vibrations