Geometry & MOs

Info

ID:	331184
PubChem CID:	127248591
Reduced:	ClO4N5C21H26 (1)
Stoich.:	AB4C5D21E26 (1)
Weight, g/mol:	435.232205
ΔH_f, kcal/mol:	-104.77
Dipole, Da:	5.96
IP(EA), eV:	-9.04(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[2-(4-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(E)-2-methyl-3-phenylprop-2-enyl]morpholine

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2CN(CCO2)CC(=O)N3CCNC3=O)CCOC4=CC=CC=C4Cl

DOS

IR

Vibrations