Geometry & MOs

Info

ID:	331191
PubChem CID:	127248598
Reduced:	N3O3C26H33 (1)
Stoich.:	A3B3C26D33 (1)
Weight, g/mol:	421.236542
ΔH_f, kcal/mol:	-42.46
Dipole, Da:	2.71
IP(EA), eV:	-8.5(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-methylphenoxy)ethyl]-2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]morpholine

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC=C1CN2CCOC(C2)C3=NN(C(=C3)CCOC4=CC=CC=C4)C

DOS

IR

Vibrations