Geometry & MOs

Info

ID:	417480
PubChem CID:	135095327
Reduced:	N2O3C19H22 (1)
Stoich.:	A2B3C19D22 (1)
Weight, g/mol:	281.164046
ΔH_f, kcal/mol:	-51.74
Dipole, Da:	3.62
IP(EA), eV:	-8.75(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-(1H-pyrazol-4-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

CN1C[C@H]2CN([C@@H](C1)COC2)C(=O)C3=CC4=CC=CC=C4OC=C3

DOS

IR

Vibrations