Geometry & MOs

Info

ID:	331195
PubChem CID:	127248602
Reduced:	F2O2N5C22H27 (1)
Stoich.:	A2B2C5D22E27 (1)
Weight, g/mol:	401.161853
ΔH_f, kcal/mol:	-73.05
Dipole, Da:	4.07
IP(EA), eV:	-8.93(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(1H-imidazol-2-ylmethyl)morpholine

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CN2CCOC(C2)C3=NN(C(=C3)CCOC4=CC(=C(C=C4)F)F)C

DOS

IR

Vibrations