Geometry & MOs

Info

ID:	255229
PubChem CID:	103130772
Reduced:	O2N3C14H19 (1)
Stoich.:	A2B3C14D19 (1)
Weight, g/mol:	309.124405
ΔH_f, kcal/mol:	-15.2
Dipole, Da:	3.4
IP(EA), eV:	-8.17(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chloro-4,5-dimethoxyphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(CC2=CC(=C(C=C2)OC)OC)N

DOS

IR

Vibrations