Geometry & MOs

Info

ID:	332541
PubChem CID:	127250827
Reduced:	ClO2N5C22H28 (1)
Stoich.:	AB2C5D22E28 (1)
Weight, g/mol:	429.193153
ΔH_f, kcal/mol:	-1.12
Dipole, Da:	1.81
IP(EA), eV:	-8.57(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C)CN2CCOC(C2)C3=NNC(=C3)CCOC4=CC=C(C=C4)Cl

DOS

IR

Vibrations