Geometry & MOs

Info

ID:	332494
PubChem CID:	127250780
Reduced:	ClO2N5C21H26 (1)
Stoich.:	AB2C5D21E26 (1)
Weight, g/mol:	415.177503
ΔH_f, kcal/mol:	5.15
Dipole, Da:	1.7
IP(EA), eV:	-8.64(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C=C1CN2CCOC(C2)C3=NNC(=C3)CCOC4=CC=C(C=C4)Cl)C

DOS

IR

Vibrations