Geometry & MOs

Info

ID:	332442
PubChem CID:	127250728
Reduced:	FO2N3C20H28 (1)
Stoich.:	AB2C3D20E28 (1)
Weight, g/mol:	377.187005
ΔH_f, kcal/mol:	-86.83
Dipole, Da:	2.28
IP(EA), eV:	-8.52(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(2,2-dimethylpropyl)morpholine

Drug info:

PubChemData

Smile

CC(C)(C)CN1CCOC(C1)C2=NNC(=C2)CCOC3=CC=CC=C3F

DOS

IR

Vibrations