Geometry & MOs

Info

ID:	331103
PubChem CID:	127248510
Reduced:	SN3O3C23H25 (1)
Stoich.:	AB3C3D23E25 (1)
Weight, g/mol:	411.171355
ΔH_f, kcal/mol:	-60.98
Dipole, Da:	7.8
IP(EA), eV:	-9.0(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCOC(C1)C2=C(SC3=C2C=CC=N3)C(=O)N(C)CCC4=CC=CC=C4

DOS

IR

Vibrations