Geometry & MOs

Info

ID:	255891
PubChem CID:	103135436
Reduced:	N5C13H21 (1)
Stoich.:	A5B13C21 (1)
Weight, g/mol:	281.109503
ΔH_f, kcal/mol:	65.9
Dipole, Da:	2.23
IP(EA), eV:	-8.76(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-6-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CCCNC(C1=NN(C=C1)C)C2=CN(N=C2C)C

DOS

IR

Vibrations