Geometry & MOs

Info

ID:	331145
PubChem CID:	127248552
Reduced:	FO2N3C23H32 (1)
Stoich.:	AB2C3D23E32 (1)
Weight, g/mol:	413.267842
ΔH_f, kcal/mol:	-86.79
Dipole, Da:	3.13
IP(EA), eV:	-8.64(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2CN(CCO2)CC3CCCCC3)CCOC4=CC=C(C=C4)F

DOS

IR

Vibrations