Geometry & MOs

Info

ID:	331132
PubChem CID:	127248539
Reduced:	F3N3O4C20H24 (1)
Stoich.:	A3B3C4D20E24 (1)
Weight, g/mol:	375.171355
ΔH_f, kcal/mol:	-267.8
Dipole, Da:	3.73
IP(EA), eV:	-9.3(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[2-(2-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(cyclopropylmethyl)morpholine

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2CN(CCO2)C(=O)COC)CCOC3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations