Geometry & MOs

Info

ID:	143086
PubChem CID:	53144044
Reduced:	ON3C20H21 (1)
Stoich.:	AB3C20D21 (1)
Weight, g/mol:	335.199762
ΔH_f, kcal/mol:	33.79
Dipole, Da:	5.94
IP(EA), eV:	-8.53(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC3=CC=C(C=C3)C(=O)C

DOS

IR

Vibrations