Geometry & MOs

Info

ID:	331149
PubChem CID:	127248556
Reduced:	F2O2N3C24H27 (1)
Stoich.:	A2B2C3D24E27 (1)
Weight, g/mol:	421.236542
ΔH_f, kcal/mol:	-94.68
Dipole, Da:	3.05
IP(EA), eV:	-8.66(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[2-(3-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(3-methylphenyl)methyl]morpholine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2CCOC(C2)C3=NN(C(=C3)CCOC4=CC(=C(C=C4)F)F)C

DOS

IR

Vibrations