Geometry & MOs

Info

ID:	157721
PubChem CID:	56436658
Reduced:	O2N3C26H29 (1)
Stoich.:	A2B3C26D29 (1)
Weight, g/mol:	456.216141
ΔH_f, kcal/mol:	22.18
Dipole, Da:	2.03
IP(EA), eV:	-8.38(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-ethoxy-4-[[(4-pyrazol-1-ylphenyl)methylamino]methyl]phenoxy]-N-phenylacetamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C2=NN(C=C2CNCC3=CC=C(C=C3)COC(C)C)C4=CC=CC=C4

DOS

IR

Vibrations