Geometry & MOs

Info

ID:	332585
PubChem CID:	127250871
Reduced:	N3O3C24H29 (1)
Stoich.:	A3B3C24D29 (1)
Weight, g/mol:	425.21147
ΔH_f, kcal/mol:	-45.03
Dipole, Da:	2.67
IP(EA), eV:	-8.45(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(2-methoxy-4-methylphenyl)methyl]morpholine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CN2CCOC(C2)C3=NNC(=C3)CCOC4=CC=CC=C4)OC

DOS

IR

Vibrations