Geometry & MOs

Info

ID:	255833
PubChem CID:	103135026
Reduced:	ClON3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	277.134575
ΔH_f, kcal/mol:	5.08
Dipole, Da:	5.37
IP(EA), eV:	-9.0(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chloro-2-methylphenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CCCNC(COC1=CC(=CC=C1)Cl)C2=NN(C=C2)C

DOS

IR

Vibrations